(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone

C12H14Cl2N2O — CID 65449557

IUPAC(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyXYCNJYBBMGDGPL-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.43
Rot. Bonds1

About (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone

(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 65449557) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID65449557
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3
InChIKeyXYCNJYBBMGDGPL-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,3-dichlorophenyl)-(3-methylpiperazin-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-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2,6-dichlorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426391
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(2,3-dihydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104894013
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(2,3-difluorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81428714
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119634833
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone (CID 65449557) is (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(Cl)c2Cl)CCN1.
What is the InChIKey of (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is XYCNJYBBMGDGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-8-7-16(6-5-15-8)12(17)9-3-2-4-10(13)11(9)14/h2-4,8,15H,5-7H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone?
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 273.16 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65449557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).