(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol

C17H24F2N2O4 — CID 166834172

IUPAC(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CCc2c(F)cc(N3CCOCC3)cc2F)C[C@@H]1O
InChIInChI=1S/C17H24F2N2O4/c18-13-7-11(21-3-5-25-6-4-21)8-14(19)12(13)1-2-20-9-15(22)17(24)16(23)10-20/h7-8,15-17,22-24H,1-6,9-10H2/t15-,16+,17?
InChIKeyGTADYQHWYQLQFN-SJPCQFCGSA-N
MW358.39 g/mol
LogP-0.26
Rot. Bonds4

About (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol

(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol (PubChem CID 166834172) has the molecular formula C17H24F2N2O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol
PubChem CID166834172
Molecular FormulaC17H24F2N2O4
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Name(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(CCc2c(F)cc(N3CCOCC3)cc2F)C[C@@H]1O
InChIInChI=1S/C17H24F2N2O4/c18-13-7-11(21-3-5-25-6-4-21)8-14(19)12(13)1-2-20-9-15(22)17(24)16(23)10-20/h7-8,15-17,22-24H,1-6,9-10H2/t15-,16+,17?
InChIKeyGTADYQHWYQLQFN-SJPCQFCGSA-N
XLogP-0.26
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol (CID 166834172) is (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(CCc2c(F)cc(N3CCOCC3)cc2F)C[C@@H]1O.
What is the InChIKey of (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol?
The InChIKey is GTADYQHWYQLQFN-SJPCQFCGSA-N. The full InChI is InChI=1S/C17H24F2N2O4/c18-13-7-11(21-3-5-25-6-4-21)8-14(19)12(13)1-2-20-9-15(22)17(24)16(23)10-20/h7-8,15-17,22-24H,1-6,9-10H2/t15-,16+,17?.
What are the key properties of (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol?
(3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol has a molecular weight of 358.39 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[2-(2,6-difluoro-4-morpholin-4-ylphenyl)ethyl]piperidine-3,4,5-triol is sourced from PubChem (CID 166834172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).