1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one

C18H28N2O — CID 110393954

IUPAC1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)19-12-15(3)20(16(4)13-19)11-10-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyMWKPLCATWUKDCG-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.81
Rot. Bonds4

About 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one

1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 110393954) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID110393954
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-14(2)18(21)19-12-15(3)20(16(4)13-19)11-10-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyMWKPLCATWUKDCG-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 110658291
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 110354446
2-methyl-1-[2-(3-phenylpropanoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 134071367
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-2-methylpropan-1-one
CID 110290314
1-[4-[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-methylpropan-1-one
CID 69155502
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
4-[3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110658310
3,5-dimethyl-4-(2-phenylmethoxyethyl)piperazine-1-carboxylic acid
CID 90345091
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one (CID 110393954) is 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1.
What is the InChIKey of 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is MWKPLCATWUKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)18(21)19-12-15(3)20(16(4)13-19)11-10-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 110393954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).