2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one

C15H22N2O — CID 62673288

IUPAC2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC1CNCCN1C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-11-16-9-10-17(12)14(18)15(2,3)13-7-5-4-6-8-13/h4-8,12,16H,9-11H2,1-3H3
InChIKeyLXDIWKLSKWFIDW-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.78
Rot. Bonds2

About 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one

2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one (PubChem CID 62673288) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
PubChem CID62673288
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one
SMILESCC1CNCCN1C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12-11-16-9-10-17(12)14(18)15(2,3)13-7-5-4-6-8-13/h4-8,12,16H,9-11H2,1-3H3
InChIKeyLXDIWKLSKWFIDW-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
(2-methylpiperazin-1-yl)-(2-phenylcyclopropyl)methanone
CID 81478367
1-(2-methylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 62672588
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 119577501
10-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]acridin-9-one
CID 119471378
tert-butyl 2-methylpiperazine-1-carboxylate;pyridine-2-carboxylic acid
CID 174852709
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120659330

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one (CID 62673288) is 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one is CC1CNCCN1C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one?
The InChIKey is LXDIWKLSKWFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-11-16-9-10-17(12)14(18)15(2,3)13-7-5-4-6-8-13/h4-8,12,16H,9-11H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one?
2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpiperazin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 62673288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).