[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone

C24H28Cl2N2O — CID 143237619

IUPAC[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)C2CCCCC2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C24H28Cl2N2O/c1-17-15-21(26)11-12-22(17)28-14-13-27(24(29)19-5-3-2-4-6-19)16-23(28)18-7-9-20(25)10-8-18/h7-12,15,19,23H,2-6,13-14,16H2,1H3
InChIKeyIULABOLSDBNKCH-UHFFFAOYSA-N
MW431.41 g/mol
LogP6.27
Rot. Bonds3

About [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone

[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 143237619) has the molecular formula C24H28Cl2N2O and a molecular weight of 431.41 g/mol. Its IUPAC name is [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID143237619
Molecular FormulaC24H28Cl2N2O
Molecular Weight431.41 g/mol
Exact Mass430.16
IUPAC Name[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
SMILESCc1cc(Cl)ccc1N1CCN(C(=O)C2CCCCC2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C24H28Cl2N2O/c1-17-15-21(26)11-12-22(17)28-14-13-27(24(29)19-5-3-2-4-6-19)16-23(28)18-7-9-20(25)10-8-18/h7-12,15,19,23H,2-6,13-14,16H2,1H3
InChIKeyIULABOLSDBNKCH-UHFFFAOYSA-N
XLogP6.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone (CID 143237619) is [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone is Cc1cc(Cl)ccc1N1CCN(C(=O)C2CCCCC2)CC1c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is IULABOLSDBNKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O/c1-17-15-21(26)11-12-22(17)28-14-13-27(24(29)19-5-3-2-4-6-19)16-23(28)18-7-9-20(25)10-8-18/h7-12,15,19,23H,2-6,13-14,16H2,1H3.
What are the key properties of [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone?
[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 431.41 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 143237619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).