1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one

C18H28N2O — CID 110393863

IUPAC1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-14(2)10-18(21)19-11-15(3)20(16(4)12-19)13-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyOIXAZOFTAIMGSA-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 110393863) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID110393863
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C18H28N2O/c1-14(2)10-18(21)19-11-15(3)20(16(4)12-19)13-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyOIXAZOFTAIMGSA-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
ethyl 4-benzyl-3,5-dimethylpiperazine-1-carboxylate
CID 110393902
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 110393885
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 110657689
(4-benzyl-3,5-dimethylpiperazin-1-yl)-(3-chlorophenyl)methanone
CID 110657704
1-benzyl-2,4,6-trimethylpiperazine;ethane
CID 145145850
1-benzyl-7-(3-methylbutanoyl)-4,5,5a,6,8,8a-hexahydro-3H-pyrrolo[3,4-b]azepin-2-one
CID 171144502
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
1-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-diphenylpropan-1-one
CID 110290192
1-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-3-methylbutan-1-one;oxalic acid
CID 2913366
4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoic acid
CID 118367030

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one (CID 110393863) is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1.
What is the InChIKey of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is OIXAZOFTAIMGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)10-18(21)19-11-15(3)20(16(4)12-19)13-17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 110393863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).