(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H13BrClNO2 — CID 103993791

IUPAC(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1Cl)N1CCCC(O)C1
InChIInChI=1S/C12H13BrClNO2/c13-10-5-1-4-9(11(10)14)12(17)15-6-2-3-8(16)7-15/h1,4-5,8,16H,2-3,6-7H2
InChIKeySJXXLUCXPFLWRJ-UHFFFAOYSA-N
MW318.60 g/mol
LogP2.70
Rot. Bonds1

About (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone

(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 103993791) has the molecular formula C12H13BrClNO2 and a molecular weight of 318.60 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID103993791
Molecular FormulaC12H13BrClNO2
Molecular Weight318.60 g/mol
Exact Mass316.98
IUPAC Name(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccc(Br)c1Cl)N1CCCC(O)C1
InChIInChI=1S/C12H13BrClNO2/c13-10-5-1-4-9(11(10)14)12(17)15-6-2-3-8(16)7-15/h1,4-5,8,16H,2-3,6-7H2
InChIKeySJXXLUCXPFLWRJ-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 103989224
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(3-bromo-2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 113362425
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
(3-bromopiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 80659980
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-bromo-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 103995516
(2-hydroxy-3-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390697
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(3-amino-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43502725

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 103993791) is (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cccc(Br)c1Cl)N1CCCC(O)C1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is SJXXLUCXPFLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNO2/c13-10-5-1-4-9(11(10)14)12(17)15-6-2-3-8(16)7-15/h1,4-5,8,16H,2-3,6-7H2.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 318.60 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 103993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).