3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one

C15H22N2O — CID 82086271

IUPAC3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(2)14(13-6-4-3-5-7-13)15(18)17-10-8-16-9-11-17/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeySAICROQOKTXHTR-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds3

About 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one

3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one (PubChem CID 82086271) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
PubChem CID82086271
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
SMILESCC(C)C(C(=O)N1CCNCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(2)14(13-6-4-3-5-7-13)15(18)17-10-8-16-9-11-17/h3-7,12,14,16H,8-11H2,1-2H3
InChIKeySAICROQOKTXHTR-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 119401955
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 3151806
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995506
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
2-hydrazinyl-2-phenyl-1-piperazin-1-ylethanone
CID 82510408
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one (CID 82086271) is 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one is CC(C)C(C(=O)N1CCNCC1)c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one?
The InChIKey is SAICROQOKTXHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(2)14(13-6-4-3-5-7-13)15(18)17-10-8-16-9-11-17/h3-7,12,14,16H,8-11H2,1-2H3.
What are the key properties of 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one?
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 82086271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).