(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone

C13H15BrClNO — CID 103841523

IUPAC(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyNIYPMBFSAIQSSX-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.12
Rot. Bonds1

About (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone

(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 103841523) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID103841523
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrClNO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyNIYPMBFSAIQSSX-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
(3-bromo-4-chlorophenyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 103842020
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(3-bromo-4-chlorophenyl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 107999426
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841864
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
3-[1-(3-bromo-4-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 107997829
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94071084
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone (CID 103841523) is (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is NIYPMBFSAIQSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-9-4-2-3-7-16(9)13(17)10-5-6-12(15)11(14)8-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone?
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 316.63 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103841523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).