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

C15H22FNO4 — CID 14819933

IUPAC(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c16-11-5-3-10(4-6-11)2-1-7-17-8-13(19)15(21)14(20)12(17)9-18/h3-6,12-15,18-21H,1-2,7-9H2/t12-,13+,14-,15-/m1/s1
InChIKeyLNWDHZNJUPFDMK-LXTVHRRPSA-N
MW299.34 g/mol
LogP-0.48
Rot. Bonds5

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

(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (PubChem CID 14819933) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
PubChem CID14819933
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
SMILESOC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCc1ccc(F)cc1
InChIInChI=1S/C15H22FNO4/c16-11-5-3-10(4-6-11)2-1-7-17-8-13(19)15(21)14(20)12(17)9-18/h3-6,12-15,18-21H,1-2,7-9H2/t12-,13+,14-,15-/m1/s1
InChIKeyLNWDHZNJUPFDMK-LXTVHRRPSA-N
XLogP-0.48
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (CID 14819933) is (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCc1ccc(F)cc1.
What is the InChIKey of (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
The InChIKey is LNWDHZNJUPFDMK-LXTVHRRPSA-N. The full InChI is InChI=1S/C15H22FNO4/c16-11-5-3-10(4-6-11)2-1-7-17-8-13(19)15(21)14(20)12(17)9-18/h3-6,12-15,18-21H,1-2,7-9H2/t12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol has a molecular weight of 299.34 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-2-(hydroxymethyl)piperidine-3,4,5-triol is sourced from PubChem (CID 14819933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).