1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone

C15H22N2O — CID 67364873

IUPAC1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-11-8-17(9-12(2)16-11)10-14-4-6-15(7-5-14)13(3)18/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyUMCZMNXBYHRIKG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone

1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone (PubChem CID 67364873) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone
PubChem CID67364873
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CN2CC(C)NC(C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-11-8-17(9-12(2)16-11)10-14-4-6-15(7-5-14)13(3)18/h4-7,11-12,16H,8-10H2,1-3H3
InChIKeyUMCZMNXBYHRIKG-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]ethanone
CID 159274096
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
methyl 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzoate
CID 79038440
1-[(3,4-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923924
4-acetyl-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 78862459
tert-butyl N-[(1S)-1-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]ethyl]carbamate
CID 129386231
3-bromo-4-[(3,5-dimethylpiperazin-1-yl)methyl]benzoic acid;dihydrochloride
CID 68982058
(3R,4S)-1-[(4-acetylphenyl)methyl]-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 133136093
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone?
The IUPAC name of 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone (CID 67364873) is 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone is CC(=O)c1ccc(CN2CC(C)NC(C)C2)cc1.
What is the InChIKey of 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone?
The InChIKey is UMCZMNXBYHRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-8-17(9-12(2)16-11)10-14-4-6-15(7-5-14)13(3)18/h4-7,11-12,16H,8-10H2,1-3H3.
What are the key properties of 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone?
1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]ethanone is sourced from PubChem (CID 67364873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).