1-(4-fluoropiperazin-2-yl)propan-1-one

C7H13FN2O — CID 174682380

IUPAC1-(4-fluoropiperazin-2-yl)propan-1-one
SMILESCCC(=O)C1CN(F)CCN1
InChIInChI=1S/C7H13FN2O/c1-2-7(11)6-5-10(8)4-3-9-6/h6,9H,2-5H2,1H3
InChIKeyYRKJCWPVCUSYQL-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.12
Rot. Bonds2

About 1-(4-fluoropiperazin-2-yl)propan-1-one

1-(4-fluoropiperazin-2-yl)propan-1-one (PubChem CID 174682380) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 1-(4-fluoropiperazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoropiperazin-2-yl)propan-1-one
PubChem CID174682380
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name1-(4-fluoropiperazin-2-yl)propan-1-one
SMILESCCC(=O)C1CN(F)CCN1
InChIInChI=1S/C7H13FN2O/c1-2-7(11)6-5-10(8)4-3-9-6/h6,9H,2-5H2,1H3
InChIKeyYRKJCWPVCUSYQL-UHFFFAOYSA-N
XLogP0.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 1-(4-fluoropiperazin-2-yl)propan-1-one 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-fluoropiperazin-2-yl)propan-1-one?
The IUPAC name of 1-(4-fluoropiperazin-2-yl)propan-1-one (CID 174682380) is 1-(4-fluoropiperazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoropiperazin-2-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoropiperazin-2-yl)propan-1-one is CCC(=O)C1CN(F)CCN1.
What is the InChIKey of 1-(4-fluoropiperazin-2-yl)propan-1-one?
The InChIKey is YRKJCWPVCUSYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-2-7(11)6-5-10(8)4-3-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 1-(4-fluoropiperazin-2-yl)propan-1-one?
1-(4-fluoropiperazin-2-yl)propan-1-one has a molecular weight of 160.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperazin-2-yl)propan-1-one is sourced from PubChem (CID 174682380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).