(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol

C16H24FNO2S — CID 124888330

IUPAC(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
SMILESCSC[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2S/c1-21-12-13-5-4-8-18(9-13)10-14(19)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyFFLZPKMNDIKTRJ-UONOGXRCSA-N
MW313.44 g/mol
LogP2.64
Rot. Bonds7

About (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol

(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 124888330) has the molecular formula C16H24FNO2S and a molecular weight of 313.44 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID124888330
Molecular FormulaC16H24FNO2S
Molecular Weight313.44 g/mol
Exact Mass313.15
IUPAC Name(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
SMILESCSC[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2S/c1-21-12-13-5-4-8-18(9-13)10-14(19)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3/t13-,14+/m0/s1
InChIKeyFFLZPKMNDIKTRJ-UONOGXRCSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 100837884
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
1-[3-(ethoxymethyl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111148127
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
CID 146142495
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686
(2S)-1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 124738429
1-[2-(4-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 138960645

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol (CID 124888330) is (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol is CSC[C@H]1CCCN(C[C@@H](O)COc2ccccc2F)C1.
What is the InChIKey of (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is FFLZPKMNDIKTRJ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H24FNO2S/c1-21-12-13-5-4-8-18(9-13)10-14(19)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,13-14,19H,4-5,8-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol?
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 313.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 124888330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).