[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol

C36H40FNO4 — CID 155721064

IUPAC[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol
SMILESOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCCc1ccc(F)cc1
InChIInChI=1S/C36H40FNO4/c37-32-20-18-28(19-21-32)17-10-22-38-23-34(40-25-29-11-4-1-5-12-29)36(42-27-31-15-8-3-9-16-31)35(33(38)24-39)41-26-30-13-6-2-7-14-30/h1-9,11-16,18-21,33-36,39H,10,17,22-27H2/t33-,34+,35-,36-/m1/s1
InChIKeyDHGLDXILHSNTOT-IYKITFJXSA-N
MW569.72 g/mol
LogP6.19
Rot. Bonds14

About [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol

[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol (PubChem CID 155721064) has the molecular formula C36H40FNO4 and a molecular weight of 569.72 g/mol. Its IUPAC name is [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol
PubChem CID155721064
Molecular FormulaC36H40FNO4
Molecular Weight569.72 g/mol
Exact Mass569.29
IUPAC Name[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol
SMILESOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCCc1ccc(F)cc1
InChIInChI=1S/C36H40FNO4/c37-32-20-18-28(19-21-32)17-10-22-38-23-34(40-25-29-11-4-1-5-12-29)36(42-27-31-15-8-3-9-16-31)35(33(38)24-39)41-26-30-13-6-2-7-14-30/h1-9,11-16,18-21,33-36,39H,10,17,22-27H2/t33-,34+,35-,36-/m1/s1
InChIKeyDHGLDXILHSNTOT-IYKITFJXSA-N
XLogP6.19
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.72
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol with MolForge

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Related Compounds

Nizubaglustat
CID 101882900
(2S,3R,4R,5S)-1-[5-[(2-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118411069
(2R,3R,4R,5S)-1-[5-[(2-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118411072
(2R,3R,4R,5S)-1-[5-[(3-fluoro-4-phenylphenyl)methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118411074
(2R,3R,4R,5S)-1-[5-[[4-(4-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719907
(2R,3R,4R,5S)-1-[5-[[4-(3-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719908
(2R,3R,4R,5S)-1-[5-[[4-(2-fluorophenyl)phenyl]methoxy]pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719909
Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
(1R,2R,5R)-5-(4-fluorobenzyloxy)-2-(4-phenylpiperidin-1-yl)cyclohexanol
CID 44564272
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-phenylmethoxyhexyl)piperidine-3,4,5-triol
CID 60168116
(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 122181059
(1R,2R,5S)-5-[(4-fluorophenyl)methoxy]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
CID 122181061

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol (CID 155721064) is [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol is OC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1CCCc1ccc(F)cc1.
What is the InChIKey of [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol?
The InChIKey is DHGLDXILHSNTOT-IYKITFJXSA-N. The full InChI is InChI=1S/C36H40FNO4/c37-32-20-18-28(19-21-32)17-10-22-38-23-34(40-25-29-11-4-1-5-12-29)36(42-27-31-15-8-3-9-16-31)35(33(38)24-39)41-26-30-13-6-2-7-14-30/h1-9,11-16,18-21,33-36,39H,10,17,22-27H2/t33-,34+,35-,36-/m1/s1.
What are the key properties of [(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol?
[(2R,3R,4R,5S)-1-[3-(4-fluorophenyl)propyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol has a molecular weight of 569.72 g/mol, XLogP of 6.19, 14 rotatable bonds, 1 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]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]methanol is sourced from PubChem (CID 155721064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).