1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one

C16H24N2O — CID 115414666

IUPAC1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
SMILESCN1CCN(C)C(CC(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-17-10-11-18(2)15(13-17)12-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyPUTVOFZFEPKUIR-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.82
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one

1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one (PubChem CID 115414666) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
PubChem CID115414666
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one
SMILESCN1CCN(C)C(CC(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-17-10-11-18(2)15(13-17)12-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3
InChIKeyPUTVOFZFEPKUIR-UHFFFAOYSA-N
XLogP1.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554
1-(4-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414660
1-(3,4-dimethylphenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414667
1-(2,3-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-one
CID 115414552
1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-4-yl)propan-2-one
CID 115414583
ethyl 1-[2-[(2R)-1,4-dimethylpiperazin-2-yl]acetyl]-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 30704717
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
1-(1,1-dioxothiolan-3-yl)-4-phenylbutan-2-one
CID 105080030
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one (CID 115414666) is 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one is CN1CCN(C)C(CC(=O)CCc2ccccc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one?
The InChIKey is PUTVOFZFEPKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-10-11-18(2)15(13-17)12-16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one?
1-(1,4-dimethylpiperazin-2-yl)-4-phenylbutan-2-one has a molecular weight of 260.38 g/mol, XLogP of 1.82, 5 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)-4-phenylbutan-2-one is sourced from PubChem (CID 115414666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).