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

C11H20F3N — CID 155003894

IUPAC2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine
SMILESCN1CC(C(F)(F)F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-6-5-8(7-15(9)4)11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyWYJJYOKJVCLAGW-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds

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

2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine (PubChem CID 155003894) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine
PubChem CID155003894
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine
SMILESCN1CC(C(F)(F)F)CCC1C(C)(C)C
InChIInChI=1S/C11H20F3N/c1-10(2,3)9-6-5-8(7-15(9)4)11(12,13)14/h8-9H,5-7H2,1-4H3
InChIKeyWYJJYOKJVCLAGW-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 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine (CID 155003894) is 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine is CN1CC(C(F)(F)F)CCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine?
The InChIKey is WYJJYOKJVCLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)9-6-5-8(7-15(9)4)11(12,13)14/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine?
2-tert-butyl-1-methyl-5-(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 2-tert-butyl-1-methyl-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 155003894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).