A1BWU

1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one

Created:	2025-02-14
Last modified:	2026-02-18

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	6

2D diagram of A1BWU

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Chemical Component Summary
Name	1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one
Systematic Name (OpenEye OEToolkits)	2-chloranyl-1-[4-(phenylmethyl)piperidin-1-yl]ethanone
Formula	C₁₄ H₁₈ Cl N O
Molecular Weight	251.752
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(CCl)N1CCC(Cc2ccccc2)CC1
SMILES	CACTVS	3.385	ClCC(=O)N1CCC(CC1)Cc2ccccc2
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CC2CCN(CC2)C(=O)CCl
Canonical SMILES	CACTVS	3.385	ClCC(=O)N1CCC(CC1)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CC2CCN(CC2)C(=O)CCl
InChI	InChI	1.06	InChI=1S/C14H18ClNO/c15-11-14(17)16-8-6-13(7-9-16)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKey	InChI	1.06	NESGURPSHDOKFU-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.