(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one

C12H14ClNO — CID 155577069

IUPAC(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
SMILESO=C1CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H14ClNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(15)8-14-11/h1-4,11,14H,5-8H2/t11-/m1/s1
InChIKeyJYLXKRQVBJFKKM-LLVKDONJSA-N
MW223.70 g/mol
LogP2.20
Rot. Bonds2

About (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one

(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one (PubChem CID 155577069) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one.

Molecular Properties

Compound Name(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
PubChem CID155577069
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one
SMILESO=C1CC[C@H](Cc2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H14ClNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(15)8-14-11/h1-4,11,14H,5-8H2/t11-/m1/s1
InChIKeyJYLXKRQVBJFKKM-LLVKDONJSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one?
The IUPAC name of (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one (CID 155577069) is (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one.
What is the SMILES notation for (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one?
The canonical SMILES for (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one is O=C1CC[C@H](Cc2ccc(Cl)cc2)NC1.
What is the InChIKey of (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one?
The InChIKey is JYLXKRQVBJFKKM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-10-3-1-9(2-4-10)7-11-5-6-12(15)8-14-11/h1-4,11,14H,5-8H2/t11-/m1/s1.
What are the key properties of (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one?
(6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one has a molecular weight of 223.70 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(4-chlorophenyl)methyl]piperidin-3-one is sourced from PubChem (CID 155577069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).