4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one

C15H21ClN2O — CID 83931157

IUPAC4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-12(10-13-2-4-14(16)5-3-13)11-15(19)18-8-6-17-7-9-18/h2-5,12,17H,6-11H2,1H3
InChIKeyNGOVLWPEXWWATB-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.34
Rot. Bonds4

About 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one

4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one (PubChem CID 83931157) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
PubChem CID83931157
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-12(10-13-2-4-14(16)5-3-13)11-15(19)18-8-6-17-7-9-18/h2-5,12,17H,6-11H2,1H3
InChIKeyNGOVLWPEXWWATB-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-6-fluorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83925251
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
4-(5-ethylthiophen-2-yl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83929402
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
3-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylpropan-1-one
CID 95477399
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
2-(4-chlorophenyl)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119454929
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one (CID 83931157) is 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one is CC(CC(=O)N1CCNCC1)Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is NGOVLWPEXWWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-12(10-13-2-4-14(16)5-3-13)11-15(19)18-8-6-17-7-9-18/h2-5,12,17H,6-11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one?
4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 280.80 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83931157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).