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

C13H13FN2O2 — CID 43656953

IUPAC1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESN#Cc1ccc(N2CCC(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H13FN2O2/c14-11-7-9(8-15)1-2-12(11)16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)
InChIKeyPRIBYGMQFDTLJJ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.00
Rot. Bonds2

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

1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid (PubChem CID 43656953) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid
PubChem CID43656953
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid
SMILESN#Cc1ccc(N2CCC(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C13H13FN2O2/c14-11-7-9(8-15)1-2-12(11)16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6H2,(H,17,18)
InChIKeyPRIBYGMQFDTLJJ-UHFFFAOYSA-N
XLogP2.00
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid (CID 43656953) is 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid is N#Cc1ccc(N2CCC(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid?
The InChIKey is PRIBYGMQFDTLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-11-7-9(8-15)1-2-12(11)16-5-3-10(4-6-16)13(17)18/h1-2,7,10H,3-6H2,(H,17,18).
What are the key properties of 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid?
1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluorophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43656953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).