2-(3-chlorophenyl)-1-piperidin-3-ylethanone

C13H16ClNO — CID 82083987

IUPAC2-(3-chlorophenyl)-1-piperidin-3-ylethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H16ClNO/c14-12-5-1-3-10(7-12)8-13(16)11-4-2-6-15-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2
InChIKeyNBVCJXHIRMQXLP-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.45
Rot. Bonds3

About 2-(3-chlorophenyl)-1-piperidin-3-ylethanone

2-(3-chlorophenyl)-1-piperidin-3-ylethanone (PubChem CID 82083987) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-piperidin-3-ylethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-piperidin-3-ylethanone
PubChem CID82083987
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(3-chlorophenyl)-1-piperidin-3-ylethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCCNC1
InChIInChI=1S/C13H16ClNO/c14-12-5-1-3-10(7-12)8-13(16)11-4-2-6-15-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2
InChIKeyNBVCJXHIRMQXLP-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-piperidin-3-ylethanone
CID 116547963
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119289277
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
2-(4-ethylphenyl)-1-piperidin-3-ylethanone
CID 82082195
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105078111
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[(3-chlorophenyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 95731896
2-(2,4-dichloroanilino)-1-piperidin-3-ylethanone
CID 173077623

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-piperidin-3-ylethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-piperidin-3-ylethanone (CID 82083987) is 2-(3-chlorophenyl)-1-piperidin-3-ylethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-piperidin-3-ylethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-piperidin-3-ylethanone is O=C(Cc1cccc(Cl)c1)C1CCCNC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-piperidin-3-ylethanone?
The InChIKey is NBVCJXHIRMQXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-5-1-3-10(7-12)8-13(16)11-4-2-6-15-9-11/h1,3,5,7,11,15H,2,4,6,8-9H2.
What are the key properties of 2-(3-chlorophenyl)-1-piperidin-3-ylethanone?
2-(3-chlorophenyl)-1-piperidin-3-ylethanone has a molecular weight of 237.73 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-piperidin-3-ylethanone is sourced from PubChem (CID 82083987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).