2-methoxy-5-(trifluoromethyl)piperidine

C7H12F3NO — CID 153178621

IUPAC2-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyWFSBTCXPUWNWSK-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.52
Rot. Bonds1

About 2-methoxy-5-(trifluoromethyl)piperidine

2-methoxy-5-(trifluoromethyl)piperidine (PubChem CID 153178621) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-methoxy-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-methoxy-5-(trifluoromethyl)piperidine
PubChem CID153178621
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyWFSBTCXPUWNWSK-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
2-(2-cyclopropylethyl)-5-(trifluoromethyl)piperidine
CID 106779869
2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
methyl (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 171397509
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
2-(4-methoxy-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidine
CID 106781309
2-[3-(piperidin-4-ylidenemethyl)phenoxy]-5-(trifluoromethyl)piperidine
CID 162568208
N-(1-methoxypropan-2-yl)-N-methyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908709
5-(trifluoromethyl)-2-[3-(trifluoromethyl)cyclohexyl]piperidine
CID 5231212
(2R,5S)-2-phenyl-5-(trifluoromethyl)piperidine
CID 164752777

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-methoxy-5-(trifluoromethyl)piperidine (CID 153178621) is 2-methoxy-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-methoxy-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-methoxy-5-(trifluoromethyl)piperidine is COC1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-methoxy-5-(trifluoromethyl)piperidine?
The InChIKey is WFSBTCXPUWNWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-12-6-3-2-5(4-11-6)7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-methoxy-5-(trifluoromethyl)piperidine?
2-methoxy-5-(trifluoromethyl)piperidine has a molecular weight of 183.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 153178621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).