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

C15H26F3NO2 — CID 170424249

IUPAC4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(C)C)CC2)CC1
InChIInChI=1S/C15H26F3NO2/c1-12(2)21-11-13(4-5-13)10-19-8-6-14(20-3,7-9-19)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyOSLFWDIZJHDNSA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.23
Rot. Bonds6

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

4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (PubChem CID 170424249) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
PubChem CID170424249
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC Name4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
SMILESCOC1(C(F)(F)F)CCN(CC2(COC(C)C)CC2)CC1
InChIInChI=1S/C15H26F3NO2/c1-12(2)21-11-13(4-5-13)10-19-8-6-14(20-3,7-9-19)15(16,17)18/h12H,4-11H2,1-3H3
InChIKeyOSLFWDIZJHDNSA-UHFFFAOYSA-N
XLogP3.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine (CID 170424249) is 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is COC1(C(F)(F)F)CCN(CC2(COC(C)C)CC2)CC1.
What is the InChIKey of 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is OSLFWDIZJHDNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-12(2)21-11-13(4-5-13)10-19-8-6-14(20-3,7-9-19)15(16,17)18/h12H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine?
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 309.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 170424249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).