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

C18H18Cl2N2O — CID 113080335

IUPAC[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O/c1-13-2-4-14(5-3-13)18(23)22-8-6-21(7-9-22)17-11-15(19)10-16(20)12-17/h2-5,10-12H,6-9H2,1H3
InChIKeyRASMAMJZOBVXFR-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.26
Rot. Bonds2

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

[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 113080335) 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]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID113080335
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O/c1-13-2-4-14(5-3-13)18(23)22-8-6-21(7-9-22)17-11-15(19)10-16(20)12-17/h2-5,10-12H,6-9H2,1H3
InChIKeyRASMAMJZOBVXFR-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]-(4-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-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 174684643
ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079814
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
5-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 83971695
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 113080335) is [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is RASMAMJZOBVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O/c1-13-2-4-14(5-3-13)18(23)22-8-6-21(7-9-22)17-11-15(19)10-16(20)12-17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(4-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]-(4-methylphenyl)methanone is sourced from PubChem (CID 113080335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).