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

C13H14F3NO3 — CID 135338215

IUPAC4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC(F)F)CC1c1ccc(F)cc1
InChIInChI=1S/C13H14F3NO3/c14-9-3-1-8(2-4-9)11-7-10(20-12(15)16)5-6-17(11)13(18)19/h1-4,10-12H,5-7H2,(H,18,19)
InChIKeySRXWKFTYBYOPNR-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.25
Rot. Bonds3

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

4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid (PubChem CID 135338215) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid
PubChem CID135338215
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OC(F)F)CC1c1ccc(F)cc1
InChIInChI=1S/C13H14F3NO3/c14-9-3-1-8(2-4-9)11-7-10(20-12(15)16)5-6-17(11)13(18)19/h1-4,10-12H,5-7H2,(H,18,19)
InChIKeySRXWKFTYBYOPNR-UHFFFAOYSA-N
XLogP3.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid (CID 135338215) is 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(OC(F)F)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
The InChIKey is SRXWKFTYBYOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-9-3-1-8(2-4-9)11-7-10(20-12(15)16)5-6-17(11)13(18)19/h1-4,10-12H,5-7H2,(H,18,19).
What are the key properties of 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid?
4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-(4-fluorophenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 135338215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).