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

C13H15BrClNO — CID 17217216

IUPAC(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H15BrClNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOLAJGQOGYKVWRL-UHFFFAOYSA-N
MW316.63 g/mol
LogP3.97
Rot. Bonds1

About (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone

(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 17217216) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID17217216
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC Name(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1
InChIInChI=1S/C13H15BrClNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOLAJGQOGYKVWRL-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

(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(5-bromo-2-chlorophenyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241236
(5-bromo-2-chlorophenyl)-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 95271389
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
(5-bromo-2-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 65309140
(5-bromo-1-methylindol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 172654563
(5-bromo-2-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65282955

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone (CID 17217216) is (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(Br)ccc2Cl)C1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OLAJGQOGYKVWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone?
(5-bromo-2-chlorophenyl)-(3-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 (5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 17217216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).