(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol

C17H24F3NO3 — CID 100835770

IUPAC(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESCOc1cccc(COC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C17H24F3NO3/c1-23-16-6-2-4-13(8-16)11-24-12-15(22)10-21-7-3-5-14(9-21)17(18,19)20/h2,4,6,8,14-15,22H,3,5,7,9-12H2,1H3/t14-,15-/m1/s1
InChIKeyAJIPZNIXQABFPX-HUUCEWRRSA-N
MW347.38 g/mol
LogP2.85
Rot. Bonds7

About (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol

(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (PubChem CID 100835770) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
PubChem CID100835770
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
SMILESCOc1cccc(COC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C17H24F3NO3/c1-23-16-6-2-4-13(8-16)11-24-12-15(22)10-21-7-3-5-14(9-21)17(18,19)20/h2,4,6,8,14-15,22H,3,5,7,9-12H2,1H3/t14-,15-/m1/s1
InChIKeyAJIPZNIXQABFPX-HUUCEWRRSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methoxy]-3-(4-pyrazol-1-ylpiperidin-1-yl)propan-2-ol
CID 111110705
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 2125971
(2R)-1-[(3-methoxyphenyl)methoxy]-3-(3-pyrazol-1-ylazetidin-1-yl)propan-2-ol
CID 95610532
2-[4-[2-hydroxy-3-[(3-methoxyphenyl)methoxy]propyl]piperazin-1-yl]phenol
CID 78782848
1-[(3-methoxyphenyl)methoxy]-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 134055442
1-(cyclopropylamino)-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 43090645
(2S)-1-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-3-[(3-methoxyphenyl)methoxy]propan-2-ol
CID 25339856
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-[(3-methoxyphenyl)methoxy]-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 42934903
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol (CID 100835770) is (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is COc1cccc(COC[C@H](O)CN2CCC[C@@H](C(F)(F)F)C2)c1.
What is the InChIKey of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is AJIPZNIXQABFPX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-23-16-6-2-4-13(8-16)11-24-12-15(22)10-21-7-3-5-14(9-21)17(18,19)20/h2,4,6,8,14-15,22H,3,5,7,9-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol?
(2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 347.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-methoxyphenyl)methoxy]-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 100835770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).