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

C18H18Cl2N2O — CID 16644825

IUPAC[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-13-6-7-14(12-17(13)20)21-8-10-22(11-9-21)18(23)15-4-2-3-5-16(15)19/h2-7,12H,8-11H2,1H3
InChIKeyOVHUVRXCLQHMCF-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

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

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone (PubChem CID 16644825) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
PubChem CID16644825
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O/c1-13-6-7-14(12-17(13)20)21-8-10-22(11-9-21)18(23)15-4-2-3-5-16(15)19/h2-7,12H,8-11H2,1H3
InChIKeyOVHUVRXCLQHMCF-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113076848
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 113077108
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone
CID 1291075
(2-chlorophenyl)-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 6456860
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 113076851
(2-bromophenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 113075509
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone (CID 16644825) is [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone is Cc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1Cl.
What is the InChIKey of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
The InChIKey is OVHUVRXCLQHMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-6-7-14(12-17(13)20)21-8-10-22(11-9-21)18(23)15-4-2-3-5-16(15)19/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone?
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone has a molecular weight of 349.26 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 16644825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).