1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine

C12H20F3NO2 — CID 169255870

IUPAC1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCOCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO2/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)18-12(13,14)15/h10H,2-9H2,1H3
InChIKeyLFIFOXWWZBXMMY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds5

About 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine

1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (PubChem CID 169255870) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
PubChem CID169255870
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
SMILESCOCC1(CN2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3NO2/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)18-12(13,14)15/h10H,2-9H2,1H3
InChIKeyLFIFOXWWZBXMMY-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine (CID 169255870) is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is COCC1(CN2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
The InChIKey is LFIFOXWWZBXMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-17-9-11(4-5-11)8-16-6-2-10(3-7-16)18-12(13,14)15/h10H,2-9H2,1H3.
What are the key properties of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine?
1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine has a molecular weight of 267.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 169255870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).