3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

C15H20F3NO — CID 52992937

IUPAC3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOCC1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-20-11-13-5-3-7-19(10-13)9-12-4-2-6-14(8-12)15(16,17)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyLMGCIQCANFXRPV-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds4

About 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 52992937) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID52992937
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOCC1CCCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20F3NO/c1-20-11-13-5-3-7-19(10-13)9-12-4-2-6-14(8-12)15(16,17)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3
InChIKeyLMGCIQCANFXRPV-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 52992937) is 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is COCC1CCCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is LMGCIQCANFXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-20-11-13-5-3-7-19(10-13)9-12-4-2-6-14(8-12)15(16,17)18/h2,4,6,8,13H,3,5,7,9-11H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 287.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 52992937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).