4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine

C13H24F3N — CID 163750936

IUPAC4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)17-7-6-10(12(3,4)5)8-11(17)13(14,15)16/h9-11H,6-8H2,1-5H3
InChIKeyLPXMKOIXHUJASE-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.08
Rot. Bonds1

About 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine

4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine (PubChem CID 163750936) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine
PubChem CID163750936
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine
SMILESCC(C)N1CCC(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C13H24F3N/c1-9(2)17-7-6-10(12(3,4)5)8-11(17)13(14,15)16/h9-11H,6-8H2,1-5H3
InChIKeyLPXMKOIXHUJASE-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150
2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 175613615
(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 135201778
1-propan-2-yl-2-(trifluoromethyl)aziridine
CID 166046410
(2R,4S)-2-(4-fluorophenyl)-1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 140925003
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
CID 178196567
2-tert-butyl-5-fluoro-5-methyl-1-propan-2-ylazepane
CID 175612284
(7R)-7-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291257
3,3-difluoro-1-propan-2-ylpyrrolidine;ethane;1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
CID 166471018
5-tert-butyl-1-methyl-2-(trifluoromethyl)piperidine
CID 167284044
2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 72560293

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine (CID 163750936) is 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine is CC(C)N1CCC(C(C)(C)C)CC1C(F)(F)F.
What is the InChIKey of 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine?
The InChIKey is LPXMKOIXHUJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-9(2)17-7-6-10(12(3,4)5)8-11(17)13(14,15)16/h9-11H,6-8H2,1-5H3.
What are the key properties of 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine?
4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine has a molecular weight of 251.34 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-yl-2-(trifluoromethyl)piperidine is sourced from PubChem (CID 163750936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).