(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine

C14H18F3NO — CID 177205527

IUPAC(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESC[C@@H]1CC[C@H](OCc2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C14H18F3NO/c1-10-5-6-13(8-18-10)19-9-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,10,13,18H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyFRWGWZPOPQYLHL-MFKMUULPSA-N
MW273.30 g/mol
LogP3.36
Rot. Bonds3

About (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine

(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine (PubChem CID 177205527) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
PubChem CID177205527
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESC[C@@H]1CC[C@H](OCc2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C14H18F3NO/c1-10-5-6-13(8-18-10)19-9-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,10,13,18H,5-6,8-9H2,1H3/t10-,13+/m1/s1
InChIKeyFRWGWZPOPQYLHL-MFKMUULPSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 135388155
3-[[3-(trifluoromethyl)phenyl]methoxy]cyclohexan-1-amine
CID 79465808
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
(2S,3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 118161519
(2S)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methoxy]pyrrolidine-2-carboxylic acid
CID 118161520
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
2-[(3S,6R)-6-methylpiperidin-3-yl]oxy-6-(trifluoromethyl)pyridine
CID 177207225
1-[[3-[[3-(trifluoromethyl)phenyl]methoxy]cyclobutyl]amino]prop-2-en-1-ol
CID 166925048
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine?
The IUPAC name of (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine (CID 177205527) is (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine?
The canonical SMILES for (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine is C[C@@H]1CC[C@H](OCc2cccc(C(F)(F)F)c2)CN1.
What is the InChIKey of (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine?
The InChIKey is FRWGWZPOPQYLHL-MFKMUULPSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10-5-6-13(8-18-10)19-9-11-3-2-4-12(7-11)14(15,16)17/h2-4,7,10,13,18H,5-6,8-9H2,1H3/t10-,13+/m1/s1.
What are the key properties of (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine?
(2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-5-[[3-(trifluoromethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 177205527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).