2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine

C10H18F3NO — CID 106780619

IUPAC2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine
SMILESCC(C)OCC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H18F3NO/c1-7(2)15-6-9-4-3-8(5-14-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyIYXZBFLYYVBUDK-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds3

About 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine

2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine (PubChem CID 106780619) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine
PubChem CID106780619
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine
SMILESCC(C)OCC1CCC(C(F)(F)F)CN1
InChIInChI=1S/C10H18F3NO/c1-7(2)15-6-9-4-3-8(5-14-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyIYXZBFLYYVBUDK-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine (CID 106780619) is 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine is CC(C)OCC1CCC(C(F)(F)F)CN1.
What is the InChIKey of 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine?
The InChIKey is IYXZBFLYYVBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)15-6-9-4-3-8(5-14-9)10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine?
2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).