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

C13H15BrClNO2 — CID 114679899

IUPAC(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2Cl)CCC1O
InChIInChI=1S/C13H15BrClNO2/c1-8-7-16(5-4-12(8)17)13(18)10-3-2-9(14)6-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyIYLVDEQAWGEXKM-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.95
Rot. Bonds1

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

(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 114679899) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID114679899
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)cc2Cl)CCC1O
InChIInChI=1S/C13H15BrClNO2/c1-8-7-16(5-4-12(8)17)13(18)10-3-2-9(14)6-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3
InChIKeyIYLVDEQAWGEXKM-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-fluorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678705
(3-aminopyrrolidin-1-yl)-(4-bromo-2-chlorophenyl)methanone
CID 62068423
(4-bromo-2-chlorophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627491
1-(4-bromo-2-chlorobenzoyl)-3-methylpiperidin-4-one
CID 114499747
(4-chloro-3-methylpiperidin-1-yl)-(2,4-dibromophenyl)methanone
CID 107941466
(2-chloro-4-methylphenyl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106864067
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
4-bromo-2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 114679432
1-(4-bromo-2-chlorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041998
(5-bromo-2-methylphenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871730
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(4-bromo-2-chlorophenyl)-[3-(2-bromoethyl)piperidin-1-yl]methanone
CID 80669190

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone (CID 114679899) is (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is CC1CN(C(=O)c2ccc(Br)cc2Cl)CCC1O.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is IYLVDEQAWGEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-8-7-16(5-4-12(8)17)13(18)10-3-2-9(14)6-11(10)15/h2-3,6,8,12,17H,4-5,7H2,1H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone?
(4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 332.63 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114679899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).