1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

C14H16F3NO2 — CID 3425175

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-18-7-5-10(6-8-18)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyVPADRSNEDIEFTG-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.00
Rot. Bonds3

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 3425175) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID3425175
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-18-7-5-10(6-8-18)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyVPADRSNEDIEFTG-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
Ethyl 1-(2,4-difluorobenzyl)-4-piperidinecarboxylate
CID 2056099
Ethyl 1-(2-methylbenzyl)-4-piperidinecarboxylate
CID 764682
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943
Methyl 1-benzylpiperidine-4-carboxylate
CID 11436222
1-Benzylpiperidine-4-carboxylic acid
CID 4714983
Ethyl 1-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 764638
4-Oxo-4-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)butanoic acid
CID 117607513
4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutanoic acid
CID 2933228
Ethyl 1-(4-Trifluoromethyl-benzyl)-piperidine-4-carboxylate
CID 764675
1-(2-Fluorobenzyl)piperidine-4-carboxylic acid
CID 3942648
2-(1-Benzylpiperidin-4-yl)acetic acid
CID 10633397

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid (CID 3425175) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is VPADRSNEDIEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)12-4-2-1-3-11(12)9-18-7-5-10(6-8-18)13(19)20/h1-4,10H,5-9H2,(H,19,20).
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3425175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).