5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine

C16H24N2O — CID 64850127

IUPAC5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine
SMILESCC1CNC(Cc2ccccc2)CN1C1CCOC1
InChIInChI=1S/C16H24N2O/c1-13-10-17-15(9-14-5-3-2-4-6-14)11-18(13)16-7-8-19-12-16/h2-6,13,15-17H,7-12H2,1H3
InChIKeyQJJDXOUVNSLHOJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.68
Rot. Bonds3

About 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine

5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine (PubChem CID 64850127) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine.

Molecular Properties

Compound Name5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine
PubChem CID64850127
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine
SMILESCC1CNC(Cc2ccccc2)CN1C1CCOC1
InChIInChI=1S/C16H24N2O/c1-13-10-17-15(9-14-5-3-2-4-6-14)11-18(13)16-7-8-19-12-16/h2-6,13,15-17H,7-12H2,1H3
InChIKeyQJJDXOUVNSLHOJ-UHFFFAOYSA-N
XLogP1.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-benzyl-1-tert-butyl-2-methylpiperazine
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5-benzyl-1-(3-ethylpentan-3-yl)-2-methylpiperazine
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5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
5-benzyl-2-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329761
5-benzyl-1-(3,3-dimethylbutan-2-yl)-2-methylpiperazine
CID 104830183
2-ethyl-1-(oxolan-3-yl)-5-phenylpiperazine
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1-(1-benzylpiperidin-4-yl)-2,5-dimethylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine?
The IUPAC name of 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine (CID 64850127) is 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine.
What is the SMILES notation for 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine?
The canonical SMILES for 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine is CC1CNC(Cc2ccccc2)CN1C1CCOC1.
What is the InChIKey of 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine?
The InChIKey is QJJDXOUVNSLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-10-17-15(9-14-5-3-2-4-6-14)11-18(13)16-7-8-19-12-16/h2-6,13,15-17H,7-12H2,1H3.
What are the key properties of 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine?
5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine has a molecular weight of 260.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-1-(oxolan-3-yl)piperazine is sourced from PubChem (CID 64850127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).