1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

C13H14F3NO2 — CID 11033023

IUPAC1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-1-3-11(4-2-10)17-7-5-9(6-8-17)12(18)19/h1-4,9H,5-8H2,(H,18,19)
InChIKeyCZYGUSOIAORVRC-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.01
Rot. Bonds2

About 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid (PubChem CID 11033023) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
PubChem CID11033023
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-1-3-11(4-2-10)17-7-5-9(6-8-17)12(18)19/h1-4,9H,5-8H2,(H,18,19)
InChIKeyCZYGUSOIAORVRC-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid (CID 11033023) is 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid?
The InChIKey is CZYGUSOIAORVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-1-3-11(4-2-10)17-7-5-9(6-8-17)12(18)19/h1-4,9H,5-8H2,(H,18,19).
What are the key properties of 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid?
1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 11033023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).