4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine

C15H28F3NO — CID 135158582

IUPAC4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCCCC(C)(C)OCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-7-14(2,3)20-12-13-5-9-19(10-6-13)11-8-15(16,17)18/h13H,4-12H2,1-3H3
InChIKeyNBURGWVZMAAQOH-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.25
Rot. Bonds7

About 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine

4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine (PubChem CID 135158582) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine.

Molecular Properties

Compound Name4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine
PubChem CID135158582
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine
SMILESCCCC(C)(C)OCC1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C15H28F3NO/c1-4-7-14(2,3)20-12-13-5-9-19(10-6-13)11-8-15(16,17)18/h13H,4-12H2,1-3H3
InChIKeyNBURGWVZMAAQOH-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine?
The IUPAC name of 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine (CID 135158582) is 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine.
What is the SMILES notation for 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine?
The canonical SMILES for 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine is CCCC(C)(C)OCC1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine?
The InChIKey is NBURGWVZMAAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-7-14(2,3)20-12-13-5-9-19(10-6-13)11-8-15(16,17)18/h13H,4-12H2,1-3H3.
What are the key properties of 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine?
4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine has a molecular weight of 295.39 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentan-2-yloxymethyl)-1-(3,3,3-trifluoropropyl)piperidine is sourced from PubChem (CID 135158582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).