[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone

C18H18Cl2N2O — CID 4558593

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O/c1-13-5-6-16(20)12-17(13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(19)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeySXJARUSSBPMRMM-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 4558593) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID4558593
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O/c1-13-5-6-16(20)12-17(13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(19)11-14/h2-6,11-12H,7-10H2,1H3
InChIKeySXJARUSSBPMRMM-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-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
3H-benzimidazol-5-yl-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 2472782
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 35678508
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079484
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 17427851
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 4558593) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is SXJARUSSBPMRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-5-6-16(20)12-17(13)21-7-9-22(10-8-21)18(23)14-3-2-4-15(19)11-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-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-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 4558593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).