4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid

C14H16F3NO4 — CID 139832833

IUPAC4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyDCDTZXLFFHVQFW-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.35
Rot. Bonds4

About 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid

4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid (PubChem CID 139832833) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
PubChem CID139832833
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Name4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20)
InChIKeyDCDTZXLFFHVQFW-UHFFFAOYSA-N
XLogP3.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[(E)-N'-hydroxycarbamimidoyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 87480296
4-[[4-[4-(dimethylcarbamoyl)phenyl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216978
4-[[4-(4-propan-2-ylsulfanylphenyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 141216994
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-[[4-(3-methoxycarbonylphenyl)-3-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 175154639
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 71784887
4-[[4-[4-(piperidine-1-carbonyl)cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylic acid
CID 146418217
4-[[1-(adamantane-1-carbonyl)piperidin-4-yl]methoxy]benzoic acid
CID 24771373
4-[[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]methoxy]-1H-triazole-5-carboxylic acid
CID 155250345
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124592579

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid (CID 139832833) is 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(COc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid?
The InChIKey is DCDTZXLFFHVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)21-9-10-5-7-18(8-6-10)13(19)20/h1-4,10H,5-9H2,(H,19,20).
What are the key properties of 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid?
4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid has a molecular weight of 319.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenoxy]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 139832833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).