1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone

C16H24N2O2 — CID 82248413

IUPAC1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(Cc2ccccc2)NCC1(C)C
InChIInChI=1S/C16H24N2O2/c1-16(2)12-17-14(9-13-7-5-4-6-8-13)10-18(16)15(19)11-20-3/h4-8,14,17H,9-12H2,1-3H3
InChIKeyFAPIDXYWEQJZPU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.45
Rot. Bonds4

About 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone

1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone (PubChem CID 82248413) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
PubChem CID82248413
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(Cc2ccccc2)NCC1(C)C
InChIInChI=1S/C16H24N2O2/c1-16(2)12-17-14(9-13-7-5-4-6-8-13)10-18(16)15(19)11-20-3/h4-8,14,17H,9-12H2,1-3H3
InChIKeyFAPIDXYWEQJZPU-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
CID 82246368
1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-2-methoxyethanone
CID 10979179
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
methyl 2-[(3S)-3-benzylpiperazin-1-yl]benzoate
CID 45072871
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82248267
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone (CID 82248413) is 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone is COCC(=O)N1CC(Cc2ccccc2)NCC1(C)C.
What is the InChIKey of 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone?
The InChIKey is FAPIDXYWEQJZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)12-17-14(9-13-7-5-4-6-8-13)10-18(16)15(19)11-20-3/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone?
1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone has a molecular weight of 276.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-2,2-dimethylpiperazin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 82248413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).