[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

C18H18Cl2N2O — CID 113080334

IUPAC[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(9-13)18(23)22-7-5-21(6-8-22)17-11-15(19)10-16(20)12-17/h2-4,9-12H,5-8H2,1H3
InChIKeyIIUHCIPEYXTNQF-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

About [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113080334) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113080334
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(9-13)18(23)22-7-5-21(6-8-22)17-11-15(19)10-16(20)12-17/h2-4,9-12H,5-8H2,1H3
InChIKeyIIUHCIPEYXTNQF-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

Analyze [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 113080335
[4-(2,4-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080198
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
methyl 3-[4-(3-methylbenzoyl)piperazin-1-yl]benzoate
CID 113078450
[4-(2-chloro-4,6-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113077014
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone (CID 113080334) is [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1.
What is the InChIKey of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is IIUHCIPEYXTNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-3-2-4-14(9-13)18(23)22-7-5-21(6-8-22)17-11-15(19)10-16(20)12-17/h2-4,9-12H,5-8H2,1H3.
What are the key properties of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone?
[4-(3,5-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-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113080334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).