(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone

C13H17ClN2O — CID 64980085

IUPAC(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)C(C)CN1
InChIInChI=1S/C13H17ClN2O/c1-9-8-16(10(2)7-15-9)13(17)11-4-3-5-12(14)6-11/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyTZCGADVOLVXTKA-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.16
Rot. Bonds1

About (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone

(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone (PubChem CID 64980085) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
PubChem CID64980085
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2)C(C)CN1
InChIInChI=1S/C13H17ClN2O/c1-9-8-16(10(2)7-15-9)13(17)11-4-3-5-12(14)6-11/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyTZCGADVOLVXTKA-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)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

(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone
CID 64979486
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
(4-chloro-1H-pyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979359
(3-chlorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82246999
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979323
(2-chlorofuran-3-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 106683666
(4-chloro-1-cyclopropylpyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979326
(3-methylphenyl)-(2-methyl-5-propan-2-ylpiperazin-1-yl)methanone
CID 82245986
N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CID 64979775

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone (CID 64980085) is (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(Cl)c2)C(C)CN1.
What is the InChIKey of (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is TZCGADVOLVXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-8-16(10(2)7-15-9)13(17)11-4-3-5-12(14)6-11/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone?
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 64980085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).