(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone

C24H27Cl2NO2 — CID 3658857

IUPAC(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CN(C2CCCCC2)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2NO2/c25-19-10-6-17(7-11-19)23(28)22-16-27(21-4-2-1-3-5-21)15-14-24(22,29)18-8-12-20(26)13-9-18/h6-13,21-22,29H,1-5,14-16H2
InChIKeyCPVHOEXRGVOAQJ-UHFFFAOYSA-N
MW432.39 g/mol
LogP5.72
Rot. Bonds4

About (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone

(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone (PubChem CID 3658857) has the molecular formula C24H27Cl2NO2 and a molecular weight of 432.39 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone
PubChem CID3658857
Molecular FormulaC24H27Cl2NO2
Molecular Weight432.39 g/mol
Exact Mass431.14
IUPAC Name(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CN(C2CCCCC2)CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2NO2/c25-19-10-6-17(7-11-19)23(28)22-16-27(21-4-2-1-3-5-21)15-14-24(22,29)18-8-12-20(26)13-9-18/h6-13,21-22,29H,1-5,14-16H2
InChIKeyCPVHOEXRGVOAQJ-UHFFFAOYSA-N
XLogP5.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone (CID 3658857) is (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone is O=C(c1ccc(Cl)cc1)C1CN(C2CCCCC2)CCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone?
The InChIKey is CPVHOEXRGVOAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO2/c25-19-10-6-17(7-11-19)23(28)22-16-27(21-4-2-1-3-5-21)15-14-24(22,29)18-8-12-20(26)13-9-18/h6-13,21-22,29H,1-5,14-16H2.
What are the key properties of (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone?
(4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone has a molecular weight of 432.39 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-chlorophenyl)-1-cyclohexyl-4-hydroxypiperidin-3-yl]methanone is sourced from PubChem (CID 3658857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).