1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one

C15H22N2O — CID 62673993

IUPAC1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-11-12(17)2/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyOSAXFPZZSDMGBO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.00
Rot. Bonds3

About 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one

1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one (PubChem CID 62673993) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
PubChem CID62673993
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCNCC1C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-11-12(17)2/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyOSAXFPZZSDMGBO-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 120733699
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
3-amino-1-(2-methylpiperazin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 122151289
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
(2R)-2-amino-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one;hydrochloride
CID 130757949
2-benzylsulfanyl-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119470581
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-phenylbutan-1-one
CID 43595543
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
CID 5143900
2-(3-chlorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119473180
2-ethyl-1-(2-phenylpiperazin-1-yl)butan-1-one
CID 82246038

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one (CID 62673993) is 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one is CCC(C(=O)N1CCNCC1C)c1ccccc1.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one?
The InChIKey is OSAXFPZZSDMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-11-12(17)2/h4-8,12,14,16H,3,9-11H2,1-2H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one?
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 62673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).