4-(3-fluorophenoxy)piperidine-2-carboxylic acid

C12H14FNO3 — CID 115043003

IUPAC4-(3-fluorophenoxy)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Oc2cccc(F)c2)CCN1
InChIInChI=1S/C12H14FNO3/c13-8-2-1-3-9(6-8)17-10-4-5-14-11(7-10)12(15)16/h1-3,6,10-11,14H,4-5,7H2,(H,15,16)
InChIKeyXNOZXMHZAUKXMR-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.41
Rot. Bonds3

About 4-(3-fluorophenoxy)piperidine-2-carboxylic acid

4-(3-fluorophenoxy)piperidine-2-carboxylic acid (PubChem CID 115043003) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)piperidine-2-carboxylic acid
PubChem CID115043003
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name4-(3-fluorophenoxy)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(Oc2cccc(F)c2)CCN1
InChIInChI=1S/C12H14FNO3/c13-8-2-1-3-9(6-8)17-10-4-5-14-11(7-10)12(15)16/h1-3,6,10-11,14H,4-5,7H2,(H,15,16)
InChIKeyXNOZXMHZAUKXMR-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)piperidine-2-carboxylic acid (CID 115043003) is 4-(3-fluorophenoxy)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)piperidine-2-carboxylic acid is O=C(O)C1CC(Oc2cccc(F)c2)CCN1.
What is the InChIKey of 4-(3-fluorophenoxy)piperidine-2-carboxylic acid?
The InChIKey is XNOZXMHZAUKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-8-2-1-3-9(6-8)17-10-4-5-14-11(7-10)12(15)16/h1-3,6,10-11,14H,4-5,7H2,(H,15,16).
What are the key properties of 4-(3-fluorophenoxy)piperidine-2-carboxylic acid?
4-(3-fluorophenoxy)piperidine-2-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)piperidine-2-carboxylic acid is sourced from PubChem (CID 115043003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).