(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol

C17H24F2N2O3 — CID 166834285

IUPAC(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2(F)CCN(c3ccc(F)cc3)CC2)C[C@@H]1O
InChIInChI=1S/C17H24F2N2O3/c18-12-1-3-13(4-2-12)21-7-5-17(19,6-8-21)11-20-9-14(22)16(24)15(23)10-20/h1-4,14-16,22-24H,5-11H2/t14-,15+,16?
InChIKeyHJGSZMZQFJJRSE-XYPWUTKMSA-N
MW342.39 g/mol
LogP0.53
Rot. Bonds3

About (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol

(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol (PubChem CID 166834285) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
PubChem CID166834285
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CC2(F)CCN(c3ccc(F)cc3)CC2)C[C@@H]1O
InChIInChI=1S/C17H24F2N2O3/c18-12-1-3-13(4-2-12)21-7-5-17(19,6-8-21)11-20-9-14(22)16(24)15(23)10-20/h1-4,14-16,22-24H,5-11H2/t14-,15+,16?
InChIKeyHJGSZMZQFJJRSE-XYPWUTKMSA-N
XLogP0.53
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol (CID 166834285) is (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(CC2(F)CCN(c3ccc(F)cc3)CC2)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is HJGSZMZQFJJRSE-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c18-12-1-3-13(4-2-12)21-7-5-17(19,6-8-21)11-20-9-14(22)16(24)15(23)10-20/h1-4,14-16,22-24H,5-11H2/t14-,15+,16?.
What are the key properties of (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol?
(3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 342.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[[4-fluoro-1-(4-fluorophenyl)piperidin-4-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166834285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).