1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone

C13H17FN2O — CID 783394

IUPAC1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O/c1-11(17)16-8-6-15(7-9-16)10-12-4-2-3-5-13(12)14/h2-5H,6-10H2,1H3
InChIKeyAKCTWONCLUGTNK-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.49
Rot. Bonds2

About 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone

1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 783394) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID783394
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C13H17FN2O/c1-11(17)16-8-6-15(7-9-16)10-12-4-2-3-5-13(12)14/h2-5H,6-10H2,1H3
InChIKeyAKCTWONCLUGTNK-UHFFFAOYSA-N
XLogP1.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone (CID 783394) is 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is AKCTWONCLUGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-11(17)16-8-6-15(7-9-16)10-12-4-2-3-5-13(12)14/h2-5H,6-10H2,1H3.
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone?
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 236.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 783394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).