[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate

C14H15F4NO2 — CID 66720562

IUPAC[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1F)N1CCCCC1
InChIInChI=1S/C14H15F4NO2/c15-12-8-11(14(16,17)18)5-4-10(12)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyGVAPUGFDZIZOTN-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.97
Rot. Bonds2

About [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate

[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate (PubChem CID 66720562) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
PubChem CID66720562
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(C(F)(F)F)cc1F)N1CCCCC1
InChIInChI=1S/C14H15F4NO2/c15-12-8-11(14(16,17)18)5-4-10(12)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2
InChIKeyGVAPUGFDZIZOTN-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 4-oxopiperidine-1-carboxylate
CID 643496
US11440884, Example 73
CID 150917355
Benzyl 4-bromotetrahydro-1(2H)-pyridinecarboxylate
CID 2776275
Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
CID 11458613
Benzyl 4-cyanopiperidine-1-carboxylate
CID 22028286
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490
2-Hydroxy-piperidine-1-carboxylic acid benzyl ester
CID 10704905
Benzyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate
CID 13016598
Benzyl 4-methylidenepiperidine-1-carboxylate
CID 15519136
Benzyl 3-cyanopiperidine-1-carboxylate
CID 44828669
Benzyl cyanomethyl(4-(piperidin-1-yl)butyl)carbamate
CID 46881925
Phenylmethyl (3S)-3-fluoro-1-pyrrolidinecarboxylate
CID 15197579

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate (CID 66720562) is [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate.
What is the SMILES notation for [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The canonical SMILES for [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate is O=C(OCc1ccc(C(F)(F)F)cc1F)N1CCCCC1.
What is the InChIKey of [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
The InChIKey is GVAPUGFDZIZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-12-8-11(14(16,17)18)5-4-10(12)9-21-13(20)19-6-2-1-3-7-19/h4-5,8H,1-3,6-7,9H2.
What are the key properties of [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate?
[2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate has a molecular weight of 305.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(trifluoromethyl)phenyl]methyl piperidine-1-carboxylate is sourced from PubChem (CID 66720562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).