(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

C24H32FNO5 — CID 118719907

IUPAC(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H32FNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/m1/s1
InChIKeyPGOGHEZNHFQKSP-UEQSERJNSA-N
MW433.52 g/mol
LogP1.94
Rot. Bonds10

About (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol

(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 118719907) has the molecular formula C24H32FNO5 and a molecular weight of 433.52 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID118719907
Molecular FormulaC24H32FNO5
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H32FNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/m1/s1
InChIKeyPGOGHEZNHFQKSP-UEQSERJNSA-N
XLogP1.94
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 118719907) is (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is PGOGHEZNHFQKSP-UEQSERJNSA-N. The full InChI is InChI=1S/C24H32FNO5/c25-20-10-8-19(9-11-20)18-6-4-17(5-7-18)16-31-13-3-1-2-12-26-14-22(28)24(30)23(29)21(26)15-27/h4-11,21-24,27-30H,1-3,12-16H2/t21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 433.52 g/mol, XLogP of 1.94, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 118719907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).