(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one

C12H14BrNO — CID 124593006

IUPAC(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/t10-/m1/s1
InChIKeyVJHSMBDMGMUICU-SNVBAGLBSA-N
MW268.15 g/mol
LogP2.52
Rot. Bonds2

About (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one

(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one (PubChem CID 124593006) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
PubChem CID124593006
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
SMILESO=C1NCCC[C@@H]1Cc1ccc(Br)cc1
InChIInChI=1S/C12H14BrNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/t10-/m1/s1
InChIKeyVJHSMBDMGMUICU-SNVBAGLBSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-[(4-bromophenyl)methyl]piperidin-2-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 (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one (CID 124593006) is (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one is O=C1NCCC[C@@H]1Cc1ccc(Br)cc1.
What is the InChIKey of (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one?
The InChIKey is VJHSMBDMGMUICU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-5-3-9(4-6-11)8-10-2-1-7-14-12(10)15/h3-6,10H,1-2,7-8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one?
(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one has a molecular weight of 268.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-bromophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 124593006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).