1-methyl-2-(trifluoromethoxy)piperidine

C7H12F3NO — CID 123295113

IUPAC1-methyl-2-(trifluoromethoxy)piperidine
SMILESCN1CCCCC1OC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-5-3-2-4-6(11)12-7(8,9)10/h6H,2-5H2,1H3
InChIKeyGMQBOAJEARDWSY-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.96
Rot. Bonds1

About 1-methyl-2-(trifluoromethoxy)piperidine

1-methyl-2-(trifluoromethoxy)piperidine (PubChem CID 123295113) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethoxy)piperidine
PubChem CID123295113
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-methyl-2-(trifluoromethoxy)piperidine
SMILESCN1CCCCC1OC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-5-3-2-4-6(11)12-7(8,9)10/h6H,2-5H2,1H3
InChIKeyGMQBOAJEARDWSY-UHFFFAOYSA-N
XLogP1.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethoxy)piperidine?
The IUPAC name of 1-methyl-2-(trifluoromethoxy)piperidine (CID 123295113) is 1-methyl-2-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-methyl-2-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-methyl-2-(trifluoromethoxy)piperidine is CN1CCCCC1OC(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethoxy)piperidine?
The InChIKey is GMQBOAJEARDWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-5-3-2-4-6(11)12-7(8,9)10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethoxy)piperidine?
1-methyl-2-(trifluoromethoxy)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethoxy)piperidine is sourced from PubChem (CID 123295113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).