CAS No.: 40576-21-4 — Piperidin-1-yl(piperidin-3-yl)methanone (PIPERIDINO(3-PIPERIDINYL)METHANONE HYDROCHLORIDE)

1. Primary Information

English name:	Piperidin-1-yl(piperidin-3-yl)methanone
CAS No.:	40576-21-4
Molecular formula:	C₁₁H₂₀N₂O
Molecular weight:	196.29 g/mol
SMILES:	C1CCN(CC1)C(=O)C2CCCNC2
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	250mg	98%	312	RT	in stock	-
Kehua Intelligence	500mg	98%	464	RT	in stock	-
Kehua Intelligence	1g	98%	624	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 35 0 1 0 0 0 0 0999 V2000 -0.0669 2.0996 0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 0.2110 0.3589 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -1.2152 0.8403 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 0.0360 -0.1651 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0830 0.8348 -1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 -0.4399 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 0.8792 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 0.9670 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -1.2426 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3747 0.0527 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 0.6654 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -1.5872 -0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8742 -0.8374 -0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 -0.4233 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 -0.8155 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 1.0766 -2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 1.7924 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 -1.0714 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 0.4122 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7817 0.6791 1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 2.0424 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5743 -1.8003 0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7618 -1.5770 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 0.6799 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -0.8125 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5365 1.1769 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 1.0552 -1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -1.3221 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 -2.6668 -0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -1.0344 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 -1.2079 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 0.4350 0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 -1.0406 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 -1.4994 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 14 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

piperidin-1-yl(piperidin-3-yl)methanone

4.2 InChI

InChI=1S/C11H20N2O/c14-11(10-5-4-6-12-9-10)13-7-2-1-3-8-13/h10,12H,1-9H2

4.3 InChIKey

OSZRYTYCKGZYLB-UHFFFAOYSA-N

4.4 Canonical SMILES

C1CCN(CC1)C(=O)C2CCCNC2

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)