1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one

C15H22N2O — CID 79659303

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C)C(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-16-10-11-17(2)14(12-16)15(18)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyBIVKRJZKPZFXQP-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.43
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one

1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one (PubChem CID 79659303) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
PubChem CID79659303
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C)C(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-16-10-11-17(2)14(12-16)15(18)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyBIVKRJZKPZFXQP-UHFFFAOYSA-N
XLogP1.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
CID 115414666
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
1-(1,4-dimethylpiperazin-2-yl)-3-methylsulfonylpropan-1-one
CID 79658884
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
CID 79659640
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
CID 79659387
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one (CID 79659303) is 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one is CN1CCN(C)C(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one?
The InChIKey is BIVKRJZKPZFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-10-11-17(2)14(12-16)15(18)9-8-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one?
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 79659303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).