1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride

C15H23ClN2O — CID 119579782

IUPAC1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCNC(C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-12(2)11-17;/h4-8,12,14,16H,3,9-11H2,1-2H3;1H
InChIKeyJFTUCEHYIDQYSW-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.42
Rot. Bonds3

About 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride

1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride (PubChem CID 119579782) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
PubChem CID119579782
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
SMILESCCC(C(=O)N1CCNC(C)C1)c1ccccc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-12(2)11-17;/h4-8,12,14,16H,3,9-11H2,1-2H3;1H
InChIKeyJFTUCEHYIDQYSW-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-2-phenylbutan-1-one
CID 43603910
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119577162
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride (CID 119579782) is 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride is CCC(C(=O)N1CCNC(C)C1)c1ccccc1.Cl.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride?
The InChIKey is JFTUCEHYIDQYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-14(13-7-5-4-6-8-13)15(18)17-10-9-16-12(2)11-17;/h4-8,12,14,16H,3,9-11H2,1-2H3;1H.
What are the key properties of 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride?
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride is sourced from PubChem (CID 119579782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).