(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

C34H37NO5 — CID 25229417

IUPAC(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESON1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C34H37NO5/c36-35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(35)26-37-22-27-13-5-1-6-14-27/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyQZYQYGBMFFNNOF-YFRBGRBWSA-N
MW539.67 g/mol
LogP6.03
Rot. Bonds13

About (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine

(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (PubChem CID 25229417) has the molecular formula C34H37NO5 and a molecular weight of 539.67 g/mol. Its IUPAC name is (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.

Molecular Properties

Compound Name(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
PubChem CID25229417
Molecular FormulaC34H37NO5
Molecular Weight539.67 g/mol
Exact Mass539.27
IUPAC Name(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
SMILESON1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1
InChIInChI=1S/C34H37NO5/c36-35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(35)26-37-22-27-13-5-1-6-14-27/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1
InChIKeyQZYQYGBMFFNNOF-YFRBGRBWSA-N
XLogP6.03
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.67
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine with MolForge

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Related Compounds

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime
CID 9569915
(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol
CID 364050
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853
(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine Hydrochloride
CID 71752407
3,4,5-Tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 76522009
Indolizine, octahydro-8-methoxy-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97546065
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131632833
(3R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131700684
(2S,3S,4S,5S)-2-[2-(4-fluorophenyl)ethynyl]-1-hydroxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidine
CID 101907720
(2R,3R,4S,5S,6R)-1-benzyl-5-fluoro-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylpiperidine
CID 162401793
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-2-thione
CID 10896951

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The IUPAC name of (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine (CID 25229417) is (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine.
What is the SMILES notation for (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The canonical SMILES for (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is ON1C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
The InChIKey is QZYQYGBMFFNNOF-YFRBGRBWSA-N. The full InChI is InChI=1S/C34H37NO5/c36-35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(35)26-37-22-27-13-5-1-6-14-27/h1-20,31-34,36H,21-26H2/t31-,32-,33-,34-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine?
(2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine has a molecular weight of 539.67 g/mol, XLogP of 6.03, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-1-hydroxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine is sourced from PubChem (CID 25229417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).