1-[(4-chlorophenyl)methyl]piperidin-2-one

C12H14ClNO — CID 121011188

IUPAC1-[(4-chlorophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2
InChIKeyLUYDSHWCUMJHKV-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.85
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]piperidin-2-one

1-[(4-chlorophenyl)methyl]piperidin-2-one (PubChem CID 121011188) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]piperidin-2-one
PubChem CID121011188
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-[(4-chlorophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2
InChIKeyLUYDSHWCUMJHKV-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]piperidin-2-one (CID 121011188) is 1-[(4-chlorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]piperidin-2-one is O=C1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]piperidin-2-one?
The InChIKey is LUYDSHWCUMJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-6-4-10(5-7-11)9-14-8-2-1-3-12(14)15/h4-7H,1-3,8-9H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]piperidin-2-one?
1-[(4-chlorophenyl)methyl]piperidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 121011188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).