1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one

C16H24N2O — CID 21043697

IUPAC1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)N(Cc2ccccc2)CC1C
InChIInChI=1S/C16H24N2O/c1-4-16(19)18-11-13(2)17(10-14(18)3)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyJPBRASKHUCMBNP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

About 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one

1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 21043697) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
PubChem CID21043697
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
SMILESCCC(=O)N1CC(C)N(Cc2ccccc2)CC1C
InChIInChI=1S/C16H24N2O/c1-4-16(19)18-11-13(2)17(10-14(18)3)12-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyJPBRASKHUCMBNP-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-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
CID 23405849
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 59950679
azanide;1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one;carbanide;yttrium(3+)
CID 21043705
1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylmethoxyphenoxy)ethanone
CID 54489131
1-(4-benzyl-3,5-dimethylpiperazin-1-yl)propan-1-one
CID 110393858
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 22264756
methyl (2R,5R)-2,4-dibenzyl-5-methylpiperazine-1-carboxylate
CID 68690521
2-[(2R,5S)-1-benzoyl-4-benzyl-5-methylpiperazin-2-yl]acetic acid
CID 176721270
1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-sulfanylphenoxy)ethanone
CID 69298429
1-[2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-3-phenylpropan-1-one
CID 54267041

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one (CID 21043697) is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one is CCC(=O)N1CC(C)N(Cc2ccccc2)CC1C.
What is the InChIKey of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is JPBRASKHUCMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-16(19)18-11-13(2)17(10-14(18)3)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-2,5-dimethylpiperazin-1-yl)propan-1-one?
1-(4-benzyl-2,5-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-2,5-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 21043697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).