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

C12H14FNO3 — CID 84701154

IUPAC3-(3-fluorophenoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Oc2cccc(F)c2)CCCNC1
InChIInChI=1S/C12H14FNO3/c13-9-3-1-4-10(7-9)17-12(11(15)16)5-2-6-14-8-12/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)
InChIKeyMHUCKAMTTBVJNJ-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.41
Rot. Bonds3

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

3-(3-fluorophenoxy)piperidine-3-carboxylic acid (PubChem CID 84701154) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenoxy)piperidine-3-carboxylic acid
PubChem CID84701154
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-(3-fluorophenoxy)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Oc2cccc(F)c2)CCCNC1
InChIInChI=1S/C12H14FNO3/c13-9-3-1-4-10(7-9)17-12(11(15)16)5-2-6-14-8-12/h1,3-4,7,14H,2,5-6,8H2,(H,15,16)
InChIKeyMHUCKAMTTBVJNJ-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 3-(3-fluorophenoxy)piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-fluorophenoxy)piperidine-3-carboxylic acid (CID 84701154) is 3-(3-fluorophenoxy)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenoxy)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenoxy)piperidine-3-carboxylic acid is O=C(O)C1(Oc2cccc(F)c2)CCCNC1.
What is the InChIKey of 3-(3-fluorophenoxy)piperidine-3-carboxylic acid?
The InChIKey is MHUCKAMTTBVJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-9-3-1-4-10(7-9)17-12(11(15)16)5-2-6-14-8-12/h1,3-4,7,14H,2,5-6,8H2,(H,15,16).
What are the key properties of 3-(3-fluorophenoxy)piperidine-3-carboxylic acid?
3-(3-fluorophenoxy)piperidine-3-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 3-(3-fluorophenoxy)piperidine-3-carboxylic acid is sourced from PubChem (CID 84701154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).