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

C9H17FN2O — CID 174694790

IUPAC1-(4-fluoropiperazin-2-yl)pentan-1-one
SMILESCCCCC(=O)C1CN(F)CCN1
InChIInChI=1S/C9H17FN2O/c1-2-3-4-9(13)8-7-12(10)6-5-11-8/h8,11H,2-7H2,1H3
InChIKeyITTGBHABUTYRQV-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.90
Rot. Bonds4

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

1-(4-fluoropiperazin-2-yl)pentan-1-one (PubChem CID 174694790) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(4-fluoropiperazin-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4-fluoropiperazin-2-yl)pentan-1-one
PubChem CID174694790
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(4-fluoropiperazin-2-yl)pentan-1-one
SMILESCCCCC(=O)C1CN(F)CCN1
InChIInChI=1S/C9H17FN2O/c1-2-3-4-9(13)8-7-12(10)6-5-11-8/h8,11H,2-7H2,1H3
InChIKeyITTGBHABUTYRQV-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperazin-2-yl)pentan-1-one?
The IUPAC name of 1-(4-fluoropiperazin-2-yl)pentan-1-one (CID 174694790) is 1-(4-fluoropiperazin-2-yl)pentan-1-one.
What is the SMILES notation for 1-(4-fluoropiperazin-2-yl)pentan-1-one?
The canonical SMILES for 1-(4-fluoropiperazin-2-yl)pentan-1-one is CCCCC(=O)C1CN(F)CCN1.
What is the InChIKey of 1-(4-fluoropiperazin-2-yl)pentan-1-one?
The InChIKey is ITTGBHABUTYRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-2-3-4-9(13)8-7-12(10)6-5-11-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-(4-fluoropiperazin-2-yl)pentan-1-one?
1-(4-fluoropiperazin-2-yl)pentan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.90, 4 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)pentan-1-one is sourced from PubChem (CID 174694790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).