(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H15Cl2NO2 — CID 80707064

IUPAC(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO2/c1-13(18)4-6-16(7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,18H,4-7H2,1H3
InChIKeyZXKHPUGUPIYJAK-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.98
Rot. Bonds1

About (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 80707064) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID80707064
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H15Cl2NO2/c1-13(18)4-6-16(7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,18H,4-7H2,1H3
InChIKeyZXKHPUGUPIYJAK-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-hydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404892
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(4-chloro-3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113343512
(3,4-dichlorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 1479964
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 80707064) is (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is ZXKHPUGUPIYJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-13(18)4-6-16(7-5-13)12(17)9-2-3-10(14)11(15)8-9/h2-3,8,18H,4-7H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 288.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 80707064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).