(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one

C12H14ClNO — CID 124592994

IUPAC(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m0/s1
InChIKeyBVIRMSZHMYKROL-JTQLQIEISA-N
MW223.70 g/mol
LogP2.41
Rot. Bonds2

About (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one

(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one (PubChem CID 124592994) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
PubChem CID124592994
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C12H14ClNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m0/s1
InChIKeyBVIRMSZHMYKROL-JTQLQIEISA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
3-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-2-one
CID 104679081
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
3-[(2-chloro-6-hydroxyphenyl)methyl]piperidin-2-one
CID 143301820
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
3-[(4-iodophenyl)methyl]piperidin-2-one
CID 104679212
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-[(3,4-dimethylphenyl)methyl]azepan-2-one
CID 113440321
3-(2-phenylethyl)piperidin-2-one
CID 10798202
3-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-one
CID 103052236
2-[(3-chlorophenyl)methyl]azepane
CID 5094056

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one?
The IUPAC name of (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one (CID 124592994) is (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one is O=C1NCCC[C@H]1Cc1cccc(Cl)c1.
What is the InChIKey of (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one?
The InChIKey is BVIRMSZHMYKROL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-5-1-3-9(8-11)7-10-4-2-6-14-12(10)15/h1,3,5,8,10H,2,4,6-7H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one?
(3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3-chlorophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 124592994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).