1-(4-benzylpiperazin-1-yl)-2-methoxyethanone

C14H20N2O2 — CID 1122381

IUPAC1-(4-benzylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyQFFLVTJKZOUJDD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone

1-(4-benzylpiperazin-1-yl)-2-methoxyethanone (PubChem CID 1122381) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-methoxyethanone
PubChem CID1122381
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H20N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyQFFLVTJKZOUJDD-UHFFFAOYSA-N
XLogP0.98
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone (CID 1122381) is 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone is COCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone?
The InChIKey is QFFLVTJKZOUJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-12-14(17)16-9-7-15(8-10-16)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone?
1-(4-benzylpiperazin-1-yl)-2-methoxyethanone has a molecular weight of 248.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 1122381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).