2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine

C11H20F3NO — CID 176833257

IUPAC2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CC(C(F)(F)F)CNC1C(C)(C)C
InChIInChI=1S/C11H20F3NO/c1-10(2,3)9-8(16-4)5-7(6-15-9)11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyZCURILMCDRFQID-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds1

About 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine

2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine (PubChem CID 176833257) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
PubChem CID176833257
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
SMILESCOC1CC(C(F)(F)F)CNC1C(C)(C)C
InChIInChI=1S/C11H20F3NO/c1-10(2,3)9-8(16-4)5-7(6-15-9)11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyZCURILMCDRFQID-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-4-(trifluoromethyl)pyrrolidine
CID 82606198
2-methoxy-5-(trifluoromethyl)piperidine
CID 153178621
2-tert-butyl-3-fluoro-5-methoxypiperidine
CID 164775357
methyl (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 171397509
(2R,4S)-2-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 96744744
4-tert-butyl-5-methoxy-2-methylpiperidine
CID 176834020
1-[4-methoxy-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
CID 176832488
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
2-tert-butyl-3-(trifluoromethyl)pyrrolidine
CID 176601473
(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane
CID 143686087
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine (CID 176833257) is 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine is COC1CC(C(F)(F)F)CNC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine?
The InChIKey is ZCURILMCDRFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,3)9-8(16-4)5-7(6-15-9)11(12,13)14/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine?
2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 176833257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).