(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

C13H15BrClNO2 — CID 110633275

IUPAC(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCCC(CO)C1
InChIInChI=1S/C13H15BrClNO2/c14-11-4-10(5-12(15)6-11)13(18)16-3-1-2-9(7-16)8-17/h4-6,9,17H,1-3,7-8H2
InChIKeyOONTWPLXILHGFQ-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.95
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone

(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110633275) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110633275
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1CCCC(CO)C1
InChIInChI=1S/C13H15BrClNO2/c14-11-4-10(5-12(15)6-11)13(18)16-3-1-2-9(7-16)8-17/h4-6,9,17H,1-3,7-8H2
InChIKeyOONTWPLXILHGFQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372685
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
[3-(2-bromoethyl)piperidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022950
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020
(3,4-difluorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422289

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110633275) is (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)cc(Br)c1)N1CCCC(CO)C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is OONTWPLXILHGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-11-4-10(5-12(15)6-11)13(18)16-3-1-2-9(7-16)8-17/h4-6,9,17H,1-3,7-8H2.
What are the key properties of (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 332.63 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110633275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).