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

C13H13FN2O2 — CID 43656955

IUPAC1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-7-9(8-15)4-5-11(10)16-6-2-1-3-12(16)13(17)18/h4-5,7,12H,1-3,6H2,(H,17,18)
InChIKeyWCULPMOXOABWOV-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.14
Rot. Bonds2

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

1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid (PubChem CID 43656955) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
PubChem CID43656955
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
SMILESN#Cc1ccc(N2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-7-9(8-15)4-5-11(10)16-6-2-1-3-12(16)13(17)18/h4-5,7,12H,1-3,6H2,(H,17,18)
InChIKeyWCULPMOXOABWOV-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyano-2,6-difluorophenyl)azepane-2-carboxylic acid
CID 81294626
1-(4-cyano-2-methylphenyl)pyrrolidine-2-carboxylic acid
CID 60930016
1-(4-cyanophenyl)azocane-2-carboxylic acid
CID 114239766
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
1-(2-cyano-4-methylphenyl)piperidine-2-carboxylic acid
CID 107926576
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
3-fluoro-4-(2-phenylpyrrolidin-1-yl)benzonitrile
CID 133333698

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid (CID 43656955) is 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid is N#Cc1ccc(N2CCCCC2C(=O)O)c(F)c1.
What is the InChIKey of 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid?
The InChIKey is WCULPMOXOABWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-7-9(8-15)4-5-11(10)16-6-2-1-3-12(16)13(17)18/h4-5,7,12H,1-3,6H2,(H,17,18).
What are the key properties of 1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid?
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid has a molecular weight of 248.26 g/mol, XLogP of 2.14, 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-2-carboxylic acid is sourced from PubChem (CID 43656955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).