(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol

C34H37NO4 — CID 134844643

IUPAC(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)C(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H37NO4/c36-32-22-35(21-27-13-5-1-6-14-27)31(26-37-23-28-15-7-2-8-16-28)33(38-24-29-17-9-3-10-18-29)34(32)39-25-30-19-11-4-12-20-30/h1-20,31-34,36H,21-26H2/t31?,32?,33-,34?/m1/s1
InChIKeyXIBNBWHRAXBUMB-IZBKTERLSA-N
MW523.67 g/mol
LogP5.62
Rot. Bonds12

About (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol

(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol (PubChem CID 134844643) has the molecular formula C34H37NO4 and a molecular weight of 523.67 g/mol. Its IUPAC name is (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol
PubChem CID134844643
Molecular FormulaC34H37NO4
Molecular Weight523.67 g/mol
Exact Mass523.27
IUPAC Name(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)C(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H37NO4/c36-32-22-35(21-27-13-5-1-6-14-27)31(26-37-23-28-15-7-2-8-16-28)33(38-24-29-17-9-3-10-18-29)34(32)39-25-30-19-11-4-12-20-30/h1-20,31-34,36H,21-26H2/t31?,32?,33-,34?/m1/s1
InChIKeyXIBNBWHRAXBUMB-IZBKTERLSA-N
XLogP5.62
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.67
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-phenylmethoxyhexyl)piperidine-3,4,5-triol
CID 60168116
2-Benzhydryloxy-3-(4-benzylpiperazin-1-yl)propan-1-ol
CID 127026609
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
8-Indolizinol, octahydro-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97545952
(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
1-Deoxy-1-(butyl((phenylmethoxy)carbonyl)amino)-2,3,4,6-tetrakis-O-(phenylmethyl)-D-galactitol
CID 165340806

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol?
The IUPAC name of (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol (CID 134844643) is (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol.
What is the SMILES notation for (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol?
The canonical SMILES for (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol is OC1CN(Cc2ccccc2)C(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol?
The InChIKey is XIBNBWHRAXBUMB-IZBKTERLSA-N. The full InChI is InChI=1S/C34H37NO4/c36-32-22-35(21-27-13-5-1-6-14-27)31(26-37-23-28-15-7-2-8-16-28)33(38-24-29-17-9-3-10-18-29)34(32)39-25-30-19-11-4-12-20-30/h1-20,31-34,36H,21-26H2/t31?,32?,33-,34?/m1/s1.
What are the key properties of (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol?
(5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol has a molecular weight of 523.67 g/mol, XLogP of 5.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-3-ol is sourced from PubChem (CID 134844643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).