(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol

C36H51NO4Si — CID 173332644

IUPAC(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
SMILESC[Si](C)(C)CCCCCCN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C36H51NO4Si/c1-42(2,3)24-16-5-4-15-23-37-25-34(40-27-31-19-11-7-12-20-31)36(41-28-32-21-13-8-14-22-32)35(38)33(37)29-39-26-30-17-9-6-10-18-30/h6-14,17-22,33-36,38H,4-5,15-16,23-29H2,1-3H3/t33?,34-,35+,36+/m0/s1
InChIKeyOVYVHVOZPIWBCN-QMYLHGGXSA-N
MW589.89 g/mol
LogP7.32
Rot. Bonds17

About (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol

(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol (PubChem CID 173332644) has the molecular formula C36H51NO4Si and a molecular weight of 589.89 g/mol. Its IUPAC name is (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
PubChem CID173332644
Molecular FormulaC36H51NO4Si
Molecular Weight589.89 g/mol
Exact Mass589.36
IUPAC Name(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
SMILESC[Si](C)(C)CCCCCCN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C36H51NO4Si/c1-42(2,3)24-16-5-4-15-23-37-25-34(40-27-31-19-11-7-12-20-31)36(41-28-32-21-13-8-14-22-32)35(38)33(37)29-39-26-30-17-9-6-10-18-30/h6-14,17-22,33-36,38H,4-5,15-16,23-29H2,1-3H3/t33?,34-,35+,36+/m0/s1
InChIKeyOVYVHVOZPIWBCN-QMYLHGGXSA-N
XLogP7.32
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.89
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
CID 173332615
(3R,4R)-1-butyl-5-phenylmethoxy-2-(phenylmethoxymethyl)piperidine-3,4-diol
CID 169438097
(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
CID 173332669
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
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-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
CID 139292716
1-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)pyrrolidine
CID 18426108
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(2S,3R,4R,5S)-1-butyl-5-phenoxy-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 78321409
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 157039498
1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol?
The IUPAC name of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol (CID 173332644) is (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol?
The canonical SMILES for (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol is C[Si](C)(C)CCCCCCN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1.
What is the InChIKey of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol?
The InChIKey is OVYVHVOZPIWBCN-QMYLHGGXSA-N. The full InChI is InChI=1S/C36H51NO4Si/c1-42(2,3)24-16-5-4-15-23-37-25-34(40-27-31-19-11-7-12-20-31)36(41-28-32-21-13-8-14-22-32)35(38)33(37)29-39-26-30-17-9-6-10-18-30/h6-14,17-22,33-36,38H,4-5,15-16,23-29H2,1-3H3/t33?,34-,35+,36+/m0/s1.
What are the key properties of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol?
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol has a molecular weight of 589.89 g/mol, XLogP of 7.32, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol is sourced from PubChem (CID 173332644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).