1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone

C15H22N2O2 — CID 82246368

IUPAC1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(c2ccccc2)NCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)11-16-13(12-7-5-4-6-8-12)9-17(15)14(18)10-19-3/h4-8,13,16H,9-11H2,1-3H3
InChIKeyRCTGMBICYFGDEM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds3

About 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone

1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone (PubChem CID 82246368) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
PubChem CID82246368
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(c2ccccc2)NCC1(C)C
InChIInChI=1S/C15H22N2O2/c1-15(2)11-16-13(12-7-5-4-6-8-12)9-17(15)14(18)10-19-3/h4-8,13,16H,9-11H2,1-3H3
InChIKeyRCTGMBICYFGDEM-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
CID 82248413
2,2-dimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64877470
2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
CID 115943657
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
CID 64877661
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-2-methoxyethanone
CID 131208761
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64877853
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
CID 10979179
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone (CID 82246368) is 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone is COCC(=O)N1CC(c2ccccc2)NCC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone?
The InChIKey is RCTGMBICYFGDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)11-16-13(12-7-5-4-6-8-12)9-17(15)14(18)10-19-3/h4-8,13,16H,9-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone?
1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone has a molecular weight of 262.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 82246368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).