(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H15BrClNO2 — CID 113351035

IUPAC(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCCCC1CO
InChIInChI=1S/C13H15BrClNO2/c14-12-7-9(15)4-5-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2
InChIKeyUZAMFPJIKVSQSS-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.09
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 113351035) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID113351035
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Br)N1CCCCC1CO
InChIInChI=1S/C13H15BrClNO2/c14-12-7-9(15)4-5-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2
InChIKeyUZAMFPJIKVSQSS-UHFFFAOYSA-N
XLogP3.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone 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

(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956228
(2-bromo-4-chlorophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99634668
(2-bromo-4-chlorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932949
(4-chloro-2-hydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030485
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956210
(2-bromo-4-chlorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124677503
(5-chloro-2-hydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411311
[5-chloro-2-(methylamino)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637953
[2-(aminomethyl)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119469020
[5-chloro-2-(ethylamino)phenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 62178255
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
(4-chloro-2-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66262380

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 113351035) is (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1Br)N1CCCCC1CO.
What is the InChIKey of (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is UZAMFPJIKVSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-12-7-9(15)4-5-11(12)13(18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8H2.
What are the key properties of (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 332.63 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 113351035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).