1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one

C17H26N2O — CID 167400886

IUPAC1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C17H26N2O/c1-14(2)16(20)18-10-11-19(17(3,4)13-18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyTVKXCFYMROABLE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one

1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one (PubChem CID 167400886) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
PubChem CID167400886
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1
InChIInChI=1S/C17H26N2O/c1-14(2)16(20)18-10-11-19(17(3,4)13-18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
InChIKeyTVKXCFYMROABLE-UHFFFAOYSA-N
XLogP2.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)pentan-1-one
CID 120565406
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
(2S)-2-(4-benzyl-3,3-dimethylpiperazin-1-yl)butanoic acid
CID 124623182
4-[(4-benzyl-3,3-dimethylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024819
[4-(aminomethyl)oxan-4-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120941187
4-[[4-(2,2-dimethylpropanoyl)-2,2-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 122032432
(4-benzyl-3,3-dimethylpiperazin-1-yl)-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119878673
1-(4-benzylpiperazin-1-yl)-2-methylpropan-1-one;methane;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161283045
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-benzyl-3,3-dimethylpiperazin-1-yl)methanone
CID 120800062
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
1-[2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 86892316

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one (CID 167400886) is 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCN(Cc2ccccc2)C(C)(C)C1.
What is the InChIKey of 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
The InChIKey is TVKXCFYMROABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)16(20)18-10-11-19(17(3,4)13-18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3.
What are the key properties of 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one?
1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-3,3-dimethylpiperazin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 167400886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).