1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

C15H20Cl2N2O — CID 116599238

IUPAC1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C15H20Cl2N2O/c1-15(2,19-7-5-18-6-8-19)14(20)10-11-9-12(16)3-4-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyIQLKAOLOHLKPKL-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one

1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (PubChem CID 116599238) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
PubChem CID116599238
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
SMILESCC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCNCC1
InChIInChI=1S/C15H20Cl2N2O/c1-15(2,19-7-5-18-6-8-19)14(20)10-11-9-12(16)3-4-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3
InChIKeyIQLKAOLOHLKPKL-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599192
1-(2,5-dichlorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-one
CID 79057317
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
2-(2,5-dichlorophenyl)-2-piperazin-1-ylpropanamide
CID 54891363
1-(2,6-dimethylphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599184
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 105412044
1-(2-methoxyphenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599315
1-(5-chloro-2-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79052318
1-[(2,5-dichlorophenyl)methylsulfonyl]piperazine
CID 53415405
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one (CID 116599238) is 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is CC(C)(C(=O)Cc1cc(Cl)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
The InChIKey is IQLKAOLOHLKPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-15(2,19-7-5-18-6-8-19)14(20)10-11-9-12(16)3-4-13(11)17/h3-4,9,18H,5-8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one?
1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one has a molecular weight of 315.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one is sourced from PubChem (CID 116599238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).