2-(3-fluoropiperidin-1-yl)acetic acid

C7H12FNO2 — CID 115012633

IUPAC2-(3-fluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(F)C1
InChIInChI=1S/C7H12FNO2/c8-6-2-1-3-9(4-6)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyHCYNQMUPVZTQHK-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.50
Rot. Bonds2

About 2-(3-fluoropiperidin-1-yl)acetic acid

2-(3-fluoropiperidin-1-yl)acetic acid (PubChem CID 115012633) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)acetic acid
PubChem CID115012633
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name2-(3-fluoropiperidin-1-yl)acetic acid
SMILESO=C(O)CN1CCCC(F)C1
InChIInChI=1S/C7H12FNO2/c8-6-2-1-3-9(4-6)5-7(10)11/h6H,1-5H2,(H,10,11)
InChIKeyHCYNQMUPVZTQHK-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluoropiperidin-1-yl)acetic acid 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 2-(3-fluoropiperidin-1-yl)acetic acid?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)acetic acid (CID 115012633) is 2-(3-fluoropiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)acetic acid is O=C(O)CN1CCCC(F)C1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)acetic acid?
The InChIKey is HCYNQMUPVZTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-6-2-1-3-9(4-6)5-7(10)11/h6H,1-5H2,(H,10,11).
What are the key properties of 2-(3-fluoropiperidin-1-yl)acetic acid?
2-(3-fluoropiperidin-1-yl)acetic acid has a molecular weight of 161.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)acetic acid is sourced from PubChem (CID 115012633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).