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

C13H15BrClNO2 — CID 103766520

IUPAC(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C13H15BrClNO2/c1-13(18)4-6-16(7-5-13)12(17)10-3-2-9(15)8-11(10)14/h2-3,8,18H,4-7H2,1H3
InChIKeyNLUUHSMPNZOTGN-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.09
Rot. Bonds1

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

(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 103766520) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID103766520
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C13H15BrClNO2/c1-13(18)4-6-16(7-5-13)12(17)10-3-2-9(15)8-11(10)14/h2-3,8,18H,4-7H2,1H3
InChIKeyNLUUHSMPNZOTGN-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
(2-bromo-4-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107988289
3-azaspiro[5.5]undecan-3-yl-(2-bromo-4-chlorophenyl)methanone
CID 107988255
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(5-chloro-2-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404871
(2-bromo-4-chlorophenyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 113257745
(5-chloro-2-iodophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107526516
(5-amino-2-bromo-4-fluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096176
(2-bromo-5-iodophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113364278
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(2-bromo-4-chlorophenyl)-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 114025204

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 103766520) is (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is NLUUHSMPNZOTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c1-13(18)4-6-16(7-5-13)12(17)10-3-2-9(15)8-11(10)14/h2-3,8,18H,4-7H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 332.63 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 103766520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).