1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol

C12H15BrClNO — CID 115903800

IUPAC1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClNO/c13-11-6-9(3-4-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyBRMILSBPJHAYLP-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.06
Rot. Bonds2

About 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol

1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol (PubChem CID 115903800) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
PubChem CID115903800
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClNO/c13-11-6-9(3-4-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2
InChIKeyBRMILSBPJHAYLP-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 61434501
[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 83230630
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
(3R)-1-benzylazepan-3-ol
CID 124585423
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol (CID 115903800) is 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol is OC1CCCN(Cc2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol?
The InChIKey is BRMILSBPJHAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-11-6-9(3-4-12(11)14)7-15-5-1-2-10(16)8-15/h3-4,6,10,16H,1-2,5,7-8H2.
What are the key properties of 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol?
1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol has a molecular weight of 304.62 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-chlorophenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 115903800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).