2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine

C16H26F3NO — CID 106780714

IUPAC2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26F3NO/c17-16(18,19)13-5-4-9-20-14(13)12-6-10-21-15(11-12)7-2-1-3-8-15/h12-14,20H,1-11H2
InChIKeyPTOKYAKWUQNDQG-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.05
Rot. Bonds1

About 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine

2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine (PubChem CID 106780714) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine
PubChem CID106780714
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H26F3NO/c17-16(18,19)13-5-4-9-20-14(13)12-6-10-21-15(11-12)7-2-1-3-8-15/h12-14,20H,1-11H2
InChIKeyPTOKYAKWUQNDQG-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600
2-(3,5-dimethylcyclohexyl)-3-(trifluoromethyl)piperidine
CID 106779481
3-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine
CID 104680489
(4aS,7aS)-6-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682694
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283
4-(2-chlorocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79919900
2,2,2-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79921916
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 106599659
2-methyl-6-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 106780757
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901179
2,2,2-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)ethanol
CID 79921915

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine (CID 106780714) is 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine is FC(F)(F)C1CCCNC1C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine?
The InChIKey is PTOKYAKWUQNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c17-16(18,19)13-5-4-9-20-14(13)12-6-10-21-15(11-12)7-2-1-3-8-15/h12-14,20H,1-11H2.
What are the key properties of 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine?
2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine has a molecular weight of 305.38 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).