(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone

C13H15BrClNO — CID 110407354

IUPAC(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C13H15BrClNO/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(15)7-10/h6-9H,2-5H2,1H3
InChIKeyJJPVVFSWHZRIFT-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.97
Rot. Bonds1

About (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110407354) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110407354
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C13H15BrClNO/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(15)7-10/h6-9H,2-5H2,1H3
InChIKeyJJPVVFSWHZRIFT-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
3-chloro-5-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65366949
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone (CID 110407354) is (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is JJPVVFSWHZRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-9-2-4-16(5-3-9)13(17)10-6-11(14)8-12(15)7-10/h6-9H,2-5H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 316.63 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110407354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).