2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride

C15H23ClN2O — CID 119577501

IUPAC2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)C(C)(C)c2ccccc2)CCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-11-17(10-9-16-12)14(18)15(2,3)13-7-5-4-6-8-13;/h4-8,12,16H,9-11H2,1-3H3;1H
InChIKeyGOXANEVZPFVZCS-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.21
Rot. Bonds2

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

2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride (PubChem CID 119577501) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
PubChem CID119577501
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)C(C)(C)c2ccccc2)CCN1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-12-11-17(10-9-16-12)14(18)15(2,3)13-7-5-4-6-8-13;/h4-8,12,16H,9-11H2,1-3H3;1H
InChIKeyGOXANEVZPFVZCS-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(4-methylphenyl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 76800407
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1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
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
1-(3-aminoazetidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 63753817
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 114509918
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
2-(4-methoxyphenyl)-2-methyl-1-(5-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82250793
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride (CID 119577501) is 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride is CC1CN(C(=O)C(C)(C)c2ccccc2)CCN1.Cl.
What is the InChIKey of 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride?
The InChIKey is GOXANEVZPFVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-12-11-17(10-9-16-12)14(18)15(2,3)13-7-5-4-6-8-13;/h4-8,12,16H,9-11H2,1-3H3;1H.
What are the key properties of 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride?
2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpiperazin-1-yl)-2-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119577501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).