3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one

C15H20Cl2N2O — CID 119473217

IUPAC3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1C
InChIInChI=1S/C15H20Cl2N2O/c1-10(7-12-3-4-13(16)8-14(12)17)15(20)19-6-5-18-9-11(19)2/h3-4,8,10-11,18H,5-7,9H2,1-2H3
InChIKeyVOXIXYUKSYJCQO-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.99
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one

3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one (PubChem CID 119473217) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
PubChem CID119473217
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one
SMILESCC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1C
InChIInChI=1S/C15H20Cl2N2O/c1-10(7-12-3-4-13(16)8-14(12)17)15(20)19-6-5-18-9-11(19)2/h3-4,8,10-11,18H,5-7,9H2,1-2H3
InChIKeyVOXIXYUKSYJCQO-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672241
4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]morpholine-3-carboxylic acid
CID 119216451
3-(4-chloro-2-methoxyphenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 142918406
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
1-[1-(2,4-dichlorophenyl)propan-2-yl]piperazine
CID 82255584
3-(2,4-dichlorophenyl)-2-methyl-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563571
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
3-(2,4-dichlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119389948
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 119638946
(5-chloro-2-fluorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472374
2-(3,5-dichlorophenoxy)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473115
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one (CID 119473217) is 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one is CC(Cc1ccc(Cl)cc1Cl)C(=O)N1CCNCC1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one?
The InChIKey is VOXIXYUKSYJCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(7-12-3-4-13(16)8-14(12)17)15(20)19-6-5-18-9-11(19)2/h3-4,8,10-11,18H,5-7,9H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one?
3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one has a molecular weight of 315.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-methyl-1-(2-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 119473217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).