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

C16H24N2O — CID 110393858

IUPAC1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C16H24N2O/c1-4-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyAHBWEZHUZYAKGK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

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

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 110393858) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
PubChem CID110393858
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1
InChIInChI=1S/C16H24N2O/c1-4-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyAHBWEZHUZYAKGK-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzyl-3,5-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 110393863
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-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
4-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135259792
7-benzyl-4-propanoyl-1,4,7-triazatricyclo[7.3.0.02,6]dodeca-9,11-dien-8-one
CID 131670305
4-[[(2S,6R)-2,6-dimethyl-4-(phenylcarbamoyl)piperazin-1-yl]methyl]benzoic acid
CID 118367030
1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 11666232
1-O-tert-butyl 3-O-methyl 4-benzyl-5-methylpiperazine-1,3-dicarboxylate
CID 171625967

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one (CID 110393858) is 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one is CCC(=O)N1CC(C)N(Cc2ccccc2)C(C)C1.
What is the InChIKey of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is AHBWEZHUZYAKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(19)17-10-13(2)18(14(3)11-17)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3.
What are the key properties of 1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one?
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 3 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)propan-1-one is sourced from PubChem (CID 110393858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).