1-benzyl-3-(trifluoromethoxymethyl)piperidine

C14H18F3NO — CID 118182067

IUPAC1-benzyl-3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-11-13-7-4-8-18(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyIBLTUBGQFJEEAU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.43
Rot. Bonds4

About 1-benzyl-3-(trifluoromethoxymethyl)piperidine

1-benzyl-3-(trifluoromethoxymethyl)piperidine (PubChem CID 118182067) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-benzyl-3-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-3-(trifluoromethoxymethyl)piperidine
PubChem CID118182067
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-benzyl-3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-11-13-7-4-8-18(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyIBLTUBGQFJEEAU-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 1-benzyl-3-(trifluoromethoxymethyl)piperidine (CID 118182067) is 1-benzyl-3-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 1-benzyl-3-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 1-benzyl-3-(trifluoromethoxymethyl)piperidine is FC(F)(F)OCC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(trifluoromethoxymethyl)piperidine?
The InChIKey is IBLTUBGQFJEEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)19-11-13-7-4-8-18(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 1-benzyl-3-(trifluoromethoxymethyl)piperidine?
1-benzyl-3-(trifluoromethoxymethyl)piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 118182067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).