[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

C18H18Cl2N2O — CID 113080198

IUPAC[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(11-13)18(23)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h2-6,11-12H,7-10H2,1H3
InChIKeySDSZMFCZINBFQQ-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

About [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113080198) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113080198
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(11-13)18(23)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h2-6,11-12H,7-10H2,1H3
InChIKeySDSZMFCZINBFQQ-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-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(2-bromo-4-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113079484
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 113076730
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
1-[3-fluoro-4-[4-(3-methylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 18098126
[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113077014
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-methylbenzamide
CID 17066106

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113080198) is [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1.
What is the InChIKey of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is SDSZMFCZINBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(11-13)18(23)22-9-7-21(8-10-22)17-6-5-15(19)12-16(17)20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of [4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)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-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113080198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).