4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine

C12H22F3NO — CID 167376071

IUPAC4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C(C)(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)11(17-4)5-7-16(8-6-11)9-12(13,14)15/h5-9H2,1-4H3
InChIKeyAMAXZCGBWDQYFQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.08
Rot. Bonds2

About 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine

4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 167376071) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID167376071
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine
SMILESCOC1(C(C)(C)C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-10(2,3)11(17-4)5-7-16(8-6-11)9-12(13,14)15/h5-9H2,1-4H3
InChIKeyAMAXZCGBWDQYFQ-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine (CID 167376071) is 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine is COC1(C(C)(C)C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is AMAXZCGBWDQYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,3)11(17-4)5-7-16(8-6-11)9-12(13,14)15/h5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine?
4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 253.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-methoxy-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 167376071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).