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

C18H18Cl2N2O — CID 113076730

IUPAC[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1c(Cl)cccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O/c1-13-16(20)6-3-7-17(13)21-8-10-22(11-9-21)18(23)14-4-2-5-15(19)12-14/h2-7,12H,8-11H2,1H3
InChIKeyBJLJMLRWBXNDHW-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

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

[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (PubChem CID 113076730) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
PubChem CID113076730
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
SMILESCc1c(Cl)cccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O/c1-13-16(20)6-3-7-17(13)21-8-10-22(11-9-21)18(23)14-4-2-5-15(19)12-14/h2-7,12H,8-11H2,1H3
InChIKeyBJLJMLRWBXNDHW-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-2-methylphenyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 113076731
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
[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
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
(3-chlorophenyl)-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077645
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 138022254
(4-chloro-3-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1346504
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079578
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone (CID 113076730) is [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is Cc1c(Cl)cccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is BJLJMLRWBXNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-16(20)6-3-7-17(13)21-8-10-22(11-9-21)18(23)14-4-2-5-15(19)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone?
[4-(3-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-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 113076730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).