1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine

C11H20F3N — CID 58266422

IUPAC1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine
SMILESCC(C)(C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-5-9(7-15)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyXCWOJRVXPTZIMK-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.31
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine

1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine (PubChem CID 58266422) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine
PubChem CID58266422
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine
SMILESCC(C)(C)CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-5-9(7-15)11(12,13)14/h9H,4-8H2,1-3H3
InChIKeyXCWOJRVXPTZIMK-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine (CID 58266422) is 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine is CC(C)(C)CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine?
The InChIKey is XCWOJRVXPTZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-10(2,3)8-15-6-4-5-9(7-15)11(12,13)14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine?
1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 58266422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).