1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

C14H24F3NO — CID 170343538

IUPAC1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCC(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyZBONPZNSNZHACC-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.47
Rot. Bonds5

About 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine

1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 170343538) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID170343538
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCC(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyZBONPZNSNZHACC-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(4,4,4-trifluorobutoxy)piperidine
CID 18722979
1-(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)-4-methylpiperidine
CID 18731746
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperidine
CID 58450218
1-(2-Methylpropyl)-4-(trifluoromethoxy)piperidine
CID 71263296
1-[(2S)-3-methoxy-2-methylpropyl]-4-(trifluoromethyl)piperidine
CID 121404019
(3S,4R)-4-(difluoromethoxy)-1-ethyl-3-methylpiperidine
CID 129230048
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]piperidine
CID 129278257
4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]-1-methylpiperidine
CID 129290451
[4-[(2,2-Difluoro-1-methylcyclopropyl)methoxy]piperidin-1-yl]phosphane
CID 129298886
1-[1,2,2-Trifluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butyl]-4-(trifluoromethyl)piperidine
CID 130418388

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 170343538) is 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is CC(C)OCC1(CN2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is ZBONPZNSNZHACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)14(15,16)17/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 279.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170343538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).