(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol

C33H43NO4Si — CID 173332669

IUPAC(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
SMILESC=CC[Si](C)(C)CN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C33H43NO4Si/c1-4-20-39(2,3)26-34-21-31(37-23-28-16-10-6-11-17-28)33(38-24-29-18-12-7-13-19-29)32(35)30(34)25-36-22-27-14-8-5-9-15-27/h4-19,30-33,35H,1,20-26H2,2-3H3/t30?,31-,32+,33+/m0/s1
InChIKeyMJEQESUVXWWHMW-WELGVCPWSA-N
MW545.80 g/mol
LogP5.85
Rot. Bonds14

About (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol

(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol (PubChem CID 173332669) has the molecular formula C33H43NO4Si and a molecular weight of 545.80 g/mol. Its IUPAC name is (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
PubChem CID173332669
Molecular FormulaC33H43NO4Si
Molecular Weight545.80 g/mol
Exact Mass545.30
IUPAC Name(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
SMILESC=CC[Si](C)(C)CN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C33H43NO4Si/c1-4-20-39(2,3)26-34-21-31(37-23-28-16-10-6-11-17-28)33(38-24-29-18-12-7-13-19-29)32(35)30(34)25-36-22-27-14-8-5-9-15-27/h4-19,30-33,35H,1,20-26H2,2-3H3/t30?,31-,32+,33+/m0/s1
InChIKeyMJEQESUVXWWHMW-WELGVCPWSA-N
XLogP5.85
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.80
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(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

(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
[(2R,3R,4S,5S)-3,4,5-tris(phenylmethoxy)-1-prop-2-enylpiperidin-2-yl]methanol
CID 11754618
2-[3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-1-yl]ethanol
CID 45357835
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol (CID 173332669) is (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol is C=CC[Si](C)(C)CN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1.
What is the InChIKey of (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol?
The InChIKey is MJEQESUVXWWHMW-WELGVCPWSA-N. The full InChI is InChI=1S/C33H43NO4Si/c1-4-20-39(2,3)26-34-21-31(37-23-28-16-10-6-11-17-28)33(38-24-29-18-12-7-13-19-29)32(35)30(34)25-36-22-27-14-8-5-9-15-27/h4-19,30-33,35H,1,20-26H2,2-3H3/t30?,31-,32+,33+/m0/s1.
What are the key properties of (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol?
(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol has a molecular weight of 545.80 g/mol, XLogP of 5.85, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol is sourced from PubChem (CID 173332669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).