(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone

C13H16BrNO — CID 2842644

IUPAC(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H16BrNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyWSMICYAMLLIPKD-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.32
Rot. Bonds1

About (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone

(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 2842644) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID2842644
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccccc2Br)C1
InChIInChI=1S/C13H16BrNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyWSMICYAMLLIPKD-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
1-(2-bromobenzoyl)piperidine-3-carbaldehyde
CID 82023409
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
(3-bromo-2-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 103989224
(3-bromo-2-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 106544396

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone (CID 2842644) is (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccccc2Br)C1.
What is the InChIKey of (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is WSMICYAMLLIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10-5-4-8-15(9-10)13(16)11-6-2-3-7-12(11)14/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone?
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 282.18 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2842644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).