4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid

C13H13FN2O3 — CID 23087181

IUPAC4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H13FN2O3/c14-11-7-9(8-15)1-2-12(11)19-10-3-5-16(6-4-10)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)
InChIKeyNKMNOKDAGJVXIP-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.22
Rot. Bonds2

About 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid

4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid (PubChem CID 23087181) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid
PubChem CID23087181
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid
SMILESN#Cc1ccc(OC2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H13FN2O3/c14-11-7-9(8-15)1-2-12(11)19-10-3-5-16(6-4-10)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)
InChIKeyNKMNOKDAGJVXIP-UHFFFAOYSA-N
XLogP2.22
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid (CID 23087181) is 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid is N#Cc1ccc(OC2CCN(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid?
The InChIKey is NKMNOKDAGJVXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c14-11-7-9(8-15)1-2-12(11)19-10-3-5-16(6-4-10)13(17)18/h1-2,7,10H,3-6H2,(H,17,18).
What are the key properties of 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid?
4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-fluorophenoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 23087181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).