CAS No.: 1314241-44-5 — (5-Bromopyridin-3-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone (UNC 669 )

1. Primary Information

English name:	(5-Bromopyridin-3-yl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone
CAS No.:	1314241-44-5
Molecular formula:	C₁₅H₂₀BRN₃O
Molecular weight:	338.24 g/mol
SMILES:	C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CN=C3)Br
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	97%	280	RT	in stock	-
Kehua Intelligence	10mg	97%	400	RT	in stock	-
Kehua Intelligence	25mg	97%	640	RT	in stock	-
Kehua Intelligence	50mg	97%	960	RT	in stock	-
Kehua Intelligence	100mg	97%	1760	RT	in stock	-
Kehua Intelligence	200mg	97%	3040	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 42 0 0 0 0 0 0 0999 V2000 4.1988 3.0458 -1.4452 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8166 -2.3664 -1.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5327 0.4299 -0.1409 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3034 -1.2833 0.1826 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5104 -0.0078 1.3387 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -0.3425 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0252 -1.4496 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2279 0.5803 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0119 1.4434 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -0.4007 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 1.8355 0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 0.6223 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7942 -2.2088 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -0.2259 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5464 -1.4812 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6357 -0.5563 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 0.6060 -0.8202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4889 -0.8152 0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8846 1.4619 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 1.1127 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 -0.8223 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8064 -1.0144 -1.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -2.1804 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4624 1.3150 1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9574 1.1368 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3587 2.3195 0.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1488 1.0366 1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9384 -1.0817 0.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 -0.9826 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0791 2.0917 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2643 2.7040 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9438 0.9031 -1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7730 0.2315 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -2.9524 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -2.7461 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2318 -0.7151 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 0.4477 1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 0.8401 -1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -1.7062 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5106 1.7374 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 18 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 20 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(5-bromopyridin-3-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

4.2 InChI

InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)