3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

C20H19FN2O3 — CID 22127670

IUPAC3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESN#Cc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c21-17-7-5-14(6-8-17)18-9-10-23(20(24)25)12-19(18)26-13-16-4-2-1-3-15(16)11-22/h1-8,18-19H,9-10,12-13H2,(H,24,25)
InChIKeySICTVOPMKIVYMM-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.75
Rot. Bonds4

About 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid

3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 22127670) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID22127670
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESN#Cc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O3/c21-17-7-5-14(6-8-17)18-9-10-23(20(24)25)12-19(18)26-13-16-4-2-1-3-15(16)11-22/h1-8,18-19H,9-10,12-13H2,(H,24,25)
InChIKeySICTVOPMKIVYMM-UHFFFAOYSA-N
XLogP3.75
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 22127670) is 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is N#Cc1ccccc1COC1CN(C(=O)O)CCC1c1ccc(F)cc1.
What is the InChIKey of 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is SICTVOPMKIVYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-17-7-5-14(6-8-17)18-9-10-23(20(24)25)12-19(18)26-13-16-4-2-1-3-15(16)11-22/h1-8,18-19H,9-10,12-13H2,(H,24,25).
What are the key properties of 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid?
3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 354.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22127670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).