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

C31H41NO4Si — CID 173332615

IUPAC(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
SMILESC[Si](C)(C)CN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C31H41NO4Si/c1-37(2,3)24-32-19-29(35-21-26-15-9-5-10-16-26)31(36-22-27-17-11-6-12-18-27)30(33)28(32)23-34-20-25-13-7-4-8-14-25/h4-18,28-31,33H,19-24H2,1-3H3/t28?,29-,30+,31+/m0/s1
InChIKeyVZMYPVHTJIDALA-LLLBZREHSA-N
MW519.76 g/mol
LogP5.30
Rot. Bonds12

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

(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol (PubChem CID 173332615) has the molecular formula C31H41NO4Si and a molecular weight of 519.76 g/mol. Its IUPAC name is (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
PubChem CID173332615
Molecular FormulaC31H41NO4Si
Molecular Weight519.76 g/mol
Exact Mass519.28
IUPAC Name(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol
SMILESC[Si](C)(C)CN1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](O)C1COCc1ccccc1
InChIInChI=1S/C31H41NO4Si/c1-37(2,3)24-32-19-29(35-21-26-15-9-5-10-16-26)31(36-22-27-17-11-6-12-18-27)30(33)28(32)23-34-20-25-13-7-4-8-14-25/h4-18,28-31,33H,19-24H2,1-3H3/t28?,29-,30+,31+/m0/s1
InChIKeyVZMYPVHTJIDALA-LLLBZREHSA-N
XLogP5.30
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.76
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5S)-1-[[dimethyl(prop-2-enyl)silyl]methyl]-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)piperidin-3-ol
CID 173332669
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(6-trimethylsilylhexyl)piperidin-3-ol
CID 173332644
(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
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
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-prop-2-enylpiperidine
CID 44820250
1-[(4-methoxyphenyl)methyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 58622824
1-butyl-5-phenylmethoxy-6-(phenylmethoxymethyl)piperidine-3,4-diol
CID 139292716
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(2-thiophen-2-ylethyl)piperidine
CID 157039498

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol (CID 173332615) is (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol is C[Si](C)(C)CN1C[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-(trimethylsilylmethyl)piperidin-3-ol?
The InChIKey is VZMYPVHTJIDALA-LLLBZREHSA-N. The full InChI is InChI=1S/C31H41NO4Si/c1-37(2,3)24-32-19-29(35-21-26-15-9-5-10-16-26)31(36-22-27-17-11-6-12-18-27)30(33)28(32)23-34-20-25-13-7-4-8-14-25/h4-18,28-31,33H,19-24H2,1-3H3/t28?,29-,30+,31+/m0/s1.
What are the key properties of (3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol?
(3R,4S,5S)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-1-(trimethylsilylmethyl)piperidin-3-ol has a molecular weight of 519.76 g/mol, XLogP of 5.30, 12 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-(trimethylsilylmethyl)piperidin-3-ol is sourced from PubChem (CID 173332615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).