2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine

C12H22F3N — CID 106778866

IUPAC2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine
SMILESCC(C)(C)CCC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C12H22F3N/c1-11(2,3)8-7-9-5-4-6-10(16-9)12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyJZJQMTSGANOADR-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine

2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine (PubChem CID 106778866) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine
PubChem CID106778866
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine
SMILESCC(C)(C)CCC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C12H22F3N/c1-11(2,3)8-7-9-5-4-6-10(16-9)12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyJZJQMTSGANOADR-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine (CID 106778866) is 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine is CC(C)(C)CCC1CCCC(C(F)(F)F)N1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine?
The InChIKey is JZJQMTSGANOADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-11(2,3)8-7-9-5-4-6-10(16-9)12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine?
2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).