(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

C17H26FNO3 — CID 100837884

IUPAC(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1
InChIInChI=1S/C17H26FNO3/c18-17-6-2-1-5-15(17)12-22-13-16(21)11-19-8-3-4-14(10-19)7-9-20/h1-2,5-6,14,16,20-21H,3-4,7-13H2/t14-,16+/m0/s1
InChIKeyUVWHUAYBJIAMKZ-GOEBONIOSA-N
MW311.40 g/mol
LogP1.80
Rot. Bonds8

About (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol

(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 100837884) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID100837884
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESOCC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1
InChIInChI=1S/C17H26FNO3/c18-17-6-2-1-5-15(17)12-22-13-16(21)11-19-8-3-4-14(10-19)7-9-20/h1-2,5-6,14,16,20-21H,3-4,7-13H2/t14-,16+/m0/s1
InChIKeyUVWHUAYBJIAMKZ-GOEBONIOSA-N
XLogP1.80
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 95336881
1-[(2-fluorophenyl)methoxy]-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110877558
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352976
(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-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-(2-ethylpiperidin-1-yl)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 17390802
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
CID 124888330
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 100837884) is (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is OCC[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2F)C1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is UVWHUAYBJIAMKZ-GOEBONIOSA-N. The full InChI is InChI=1S/C17H26FNO3/c18-17-6-2-1-5-15(17)12-22-13-16(21)11-19-8-3-4-14(10-19)7-9-20/h1-2,5-6,14,16,20-21H,3-4,7-13H2/t14-,16+/m0/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol?
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 311.40 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 100837884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).