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

C14H24F3NO2 — CID 170343535

IUPAC1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCC(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO2/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)20-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyGJPOJPZPRUKMFM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds6

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

1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (PubChem CID 170343535) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
PubChem CID170343535
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCC(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C14H24F3NO2/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)20-14(15,16)17/h11-12H,3-10H2,1-2H3
InChIKeyGJPOJPZPRUKMFM-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (CID 170343535) is 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is CC(C)OCC1(CN2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The InChIKey is GJPOJPZPRUKMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-11(2)19-10-13(5-6-13)9-18-7-3-12(4-8-18)20-14(15,16)17/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine has a molecular weight of 295.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 170343535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).