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

C15H26F3NO — CID 170369368

IUPAC1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3NO/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeySTCJDSICOGVYIW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.86
Rot. Bonds4

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

1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 170369368) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID170369368
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3NO/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeySTCJDSICOGVYIW-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 169254871
[1-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]methanol
CID 169315549
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclobutyl]methyl]azetidine
CID 171611844
(3S)-1-[[1-(ethoxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine
CID 176661044
1-[[1-(nitrosomethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 177009192
1,1-dimethyl-4-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,4-thiazepane
CID 170368810
4-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1-[[1-(methoxymethyl)cyclopropyl]methyl]piperidine
CID 169254942
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]oxan-4-amine
CID 113280991
3,3-dimethyl-1-[2-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 170777503
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 83074157
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 170369368) is 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is CC(C)(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is STCJDSICOGVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-13(2,3)20-11-14(6-7-14)10-19-8-4-12(5-9-19)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-(trifluoromethyl)piperidine?
1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 293.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170369368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).