(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol

C17H26FNO2 — CID 25346087

IUPAC(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-13-6-5-7-14(2)19(13)10-16(20)12-21-11-15-8-3-4-9-17(15)18/h3-4,8-9,13-14,16,20H,5-7,10-12H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyAXBWTBDQEIFRII-IJEWVQPXSA-N
MW295.40 g/mol
LogP2.97
Rot. Bonds6

About (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol

(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 25346087) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID25346087
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1C[C@@H](O)COCc1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-13-6-5-7-14(2)19(13)10-16(20)12-21-11-15-8-3-4-9-17(15)18/h3-4,8-9,13-14,16,20H,5-7,10-12H2,1-2H3/t13-,14+,16-/m1/s1
InChIKeyAXBWTBDQEIFRII-IJEWVQPXSA-N
XLogP2.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
1-(cyclopropylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 3604770
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 25346087) is (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol is C[C@@H]1CCC[C@H](C)N1C[C@@H](O)COCc1ccccc1F.
What is the InChIKey of (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is AXBWTBDQEIFRII-IJEWVQPXSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13-6-5-7-14(2)19(13)10-16(20)12-21-11-15-8-3-4-9-17(15)18/h3-4,8-9,13-14,16,20H,5-7,10-12H2,1-2H3/t13-,14+,16-/m1/s1.
What are the key properties of (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 25346087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).