[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone

C20H23ClN2O — CID 113077014

IUPAC[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3c(C)cc(C)cc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-5-4-6-17(12-14)20(24)23-9-7-22(8-10-23)19-16(3)11-15(2)13-18(19)21/h4-6,11-13H,7-10H2,1-3H3
InChIKeyWLVARVHRZAKPMW-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.23
Rot. Bonds2

About [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113077014) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113077014
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3c(C)cc(C)cc3Cl)CC2)c1
InChIInChI=1S/C20H23ClN2O/c1-14-5-4-6-17(12-14)20(24)23-9-7-22(8-10-23)19-16(3)11-15(2)13-18(19)21/h4-6,11-13H,7-10H2,1-3H3
InChIKeyWLVARVHRZAKPMW-UHFFFAOYSA-N
XLogP4.23
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 6456860
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113077014) is [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3c(C)cc(C)cc3Cl)CC2)c1.
What is the InChIKey of [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is WLVARVHRZAKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-14-5-4-6-17(12-14)20(24)23-9-7-22(8-10-23)19-16(3)11-15(2)13-18(19)21/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 342.87 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113077014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).