(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone

C12H14Cl2N2O — CID 62672241

IUPAC(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyAKJXQMCDSIZPHF-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.43
Rot. Bonds1

About (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone

(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone (PubChem CID 62672241) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
PubChem CID62672241
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3
InChIKeyAKJXQMCDSIZPHF-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

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Related Compounds

(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
(2-chloro-5-hydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 106502577
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(3-chloro-2-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82755442
(2-fluoro-4-methylphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472703
(4-bromo-2-fluorophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705543
(7-chloroquinolin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 126766991
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 124571060

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone (CID 62672241) is (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone?
The InChIKey is AKJXQMCDSIZPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-8-7-15-4-5-16(8)12(17)10-3-2-9(13)6-11(10)14/h2-3,6,8,15H,4-5,7H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone?
(2,4-dichlorophenyl)-(2-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 (2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62672241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).