5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine

C11H20F3N — CID 167284044

IUPAC5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine
SMILESCN1CC(C(C)(C)C)CCC1C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-5-6-9(11(12,13)14)15(4)7-8/h8-9H,5-7H2,1-4H3
InChIKeyHLYMKCXCLQQZPX-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds

About 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine

5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine (PubChem CID 167284044) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine
PubChem CID167284044
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine
SMILESCN1CC(C(C)(C)C)CCC1C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-5-6-9(11(12,13)14)15(4)7-8/h8-9H,5-7H2,1-4H3
InChIKeyHLYMKCXCLQQZPX-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine?
The IUPAC name of 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine (CID 167284044) is 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine is CN1CC(C(C)(C)C)CCC1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine?
The InChIKey is HLYMKCXCLQQZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)8-5-6-9(11(12,13)14)15(4)7-8/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine?
5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 167284044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).