1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one

C20H21Cl2NO2 — CID 23362148

IUPAC1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(O)CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-19,24H,9-13H2
InChIKeyRPERXRUEOCSCQS-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.76
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one

1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 23362148) has the molecular formula C20H21Cl2NO2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
PubChem CID23362148
Molecular FormulaC20H21Cl2NO2
Molecular Weight378.30 g/mol
Exact Mass377.09
IUPAC Name1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC(O)CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H21Cl2NO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-19,24H,9-13H2
InChIKeyRPERXRUEOCSCQS-UHFFFAOYSA-N
XLogP4.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Benzyl-piperidin-4-yl)-(4-chloro-phenyl)-methanone
CID 24747050
1,2-Bis(4-chlorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanone
CID 407137
Acetophenone, 2-(bis(2-hydroxyethyl))amino-p-chloro-2-phenyl-, hydrochloride
CID 23004
[1-(4-Chlorobenzoyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 45240656
2-[4-(4-Chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
CID 20528217
4-[4-[(4-Chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-fluoro-1-phenylbutan-1-one
CID 21324665
4-[2-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 21973231
4-(4-Chlorophenyl)-1-(4-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)butan-1-one
CID 22074128
4-(4-Chlorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-piperidin-1-ylbutan-1-one
CID 23054423
4-[4-[(4-Chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-4-fluoro-2-hydroxy-1-phenylbutan-1-one
CID 23329039
(3R)-1-[1-(4-chlorophenyl)-4-(4-fluorophenyl)-4-oxobutyl]piperidine-3-carboxylic acid
CID 70117879
4-[2-(4-Chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
CID 70448901

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one (CID 23362148) is 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one is O=C(CCN1CCC(O)CC1c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is RPERXRUEOCSCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO2/c21-16-5-1-14(2-6-16)19-13-18(24)9-11-23(19)12-10-20(25)15-3-7-17(22)8-4-15/h1-8,18-19,24H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one?
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 378.30 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 23362148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).