(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine

C14H19F2NO2 — CID 177205598

IUPAC(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine
SMILESC[C@@H]1CC[C@H](OCc2cccc(OC(F)F)c2)CN1
InChIInChI=1S/C14H19F2NO2/c1-10-5-6-13(8-17-10)18-9-11-3-2-4-12(7-11)19-14(15)16/h2-4,7,10,13-14,17H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyGLUWAURLTUZEMN-MFKMUULPSA-N
MW271.31 g/mol
LogP2.95
Rot. Bonds5

About (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine

(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine (PubChem CID 177205598) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine.

Molecular Properties

Compound Name(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine
PubChem CID177205598
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine
SMILESC[C@@H]1CC[C@H](OCc2cccc(OC(F)F)c2)CN1
InChIInChI=1S/C14H19F2NO2/c1-10-5-6-13(8-17-10)18-9-11-3-2-4-12(7-11)19-14(15)16/h2-4,7,10,13-14,17H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyGLUWAURLTUZEMN-MFKMUULPSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine?
The IUPAC name of (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine (CID 177205598) is (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine.
What is the SMILES notation for (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine?
The canonical SMILES for (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine is C[C@@H]1CC[C@H](OCc2cccc(OC(F)F)c2)CN1.
What is the InChIKey of (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine?
The InChIKey is GLUWAURLTUZEMN-MFKMUULPSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-10-5-6-13(8-17-10)18-9-11-3-2-4-12(7-11)19-14(15)16/h2-4,7,10,13-14,17H,5-6,8-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine?
(2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine has a molecular weight of 271.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[3-(difluoromethoxy)phenyl]methoxy]-2-methylpiperidine is sourced from PubChem (CID 177205598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).