1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone

C15H22N2O — CID 20769426

IUPAC1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccccc2)C(C)C1
InChIInChI=1S/C15H22N2O/c1-12-11-16(14(3)18)9-10-17(12)13(2)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3
InChIKeyUAMAQCYKTCLKFM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.30
Rot. Bonds2

About 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone

1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone (PubChem CID 20769426) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
PubChem CID20769426
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)c2ccccc2)C(C)C1
InChIInChI=1S/C15H22N2O/c1-12-11-16(14(3)18)9-10-17(12)13(2)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3
InChIKeyUAMAQCYKTCLKFM-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
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(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
[(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-1-[(1R)-1-phenylethyl]piperidin-3-yl] acetate
CID 11280349

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone (CID 20769426) is 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)c2ccccc2)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone?
The InChIKey is UAMAQCYKTCLKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-11-16(14(3)18)9-10-17(12)13(2)15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone?
1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20769426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).