1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine

C15H26F3NO2 — CID 170369347

IUPAC1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCC(C)(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3NO2/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)21-15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyMMOGUSMXBORFQS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.58
Rot. Bonds5

About 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (PubChem CID 170369347) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
PubChem CID170369347
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCC(C)(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3NO2/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)21-15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyMMOGUSMXBORFQS-UHFFFAOYSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (CID 170369347) is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is CC(C)(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The InChIKey is MMOGUSMXBORFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)21-15(16,17)18/h12H,4-11H2,1-3H3.
What are the key properties of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine has a molecular weight of 309.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 170369347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).