2-fluoropiperidine-4-carboxylic acid

C6H10FNO2 — CID 42628771

IUPAC2-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(F)C1
InChIInChI=1S/C6H10FNO2/c7-5-3-4(6(9)10)1-2-8-5/h4-5,8H,1-3H2,(H,9,10)
InChIKeyBXCYNSCXMMHDCE-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.37
Rot. Bonds1

About 2-fluoropiperidine-4-carboxylic acid

2-fluoropiperidine-4-carboxylic acid (PubChem CID 42628771) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-fluoropiperidine-4-carboxylic acid
PubChem CID42628771
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-fluoropiperidine-4-carboxylic acid
SMILESO=C(O)C1CCNC(F)C1
InChIInChI=1S/C6H10FNO2/c7-5-3-4(6(9)10)1-2-8-5/h4-5,8H,1-3H2,(H,9,10)
InChIKeyBXCYNSCXMMHDCE-UHFFFAOYSA-N
XLogP0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 2-fluoropiperidine-4-carboxylic acid (CID 42628771) is 2-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 2-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 2-fluoropiperidine-4-carboxylic acid is O=C(O)C1CCNC(F)C1.
What is the InChIKey of 2-fluoropiperidine-4-carboxylic acid?
The InChIKey is BXCYNSCXMMHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-5-3-4(6(9)10)1-2-8-5/h4-5,8H,1-3H2,(H,9,10).
What are the key properties of 2-fluoropiperidine-4-carboxylic acid?
2-fluoropiperidine-4-carboxylic acid has a molecular weight of 147.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 42628771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).