(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine

C46H45NO4 — CID 126961869

IUPAC(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine
SMILESc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)NC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C46H45NO4/c1-7-19-36(20-8-1)32-48-43-31-47-42(44(49-33-37-21-9-2-10-22-37)45(43)50-34-38-23-11-3-12-24-38)35-51-46(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-45,47H,31-35H2/t42-,43+,44-,45-/m1/s1
InChIKeyNFVZYMIBZIXNJT-SDEIMAHSSA-N
MW675.87 g/mol
LogP8.72
Rot. Bonds15

About (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine

(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine (PubChem CID 126961869) has the molecular formula C46H45NO4 and a molecular weight of 675.87 g/mol. Its IUPAC name is (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine.

Molecular Properties

Compound Name(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine
PubChem CID126961869
Molecular FormulaC46H45NO4
Molecular Weight675.87 g/mol
Exact Mass675.33
IUPAC Name(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine
SMILESc1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)NC[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C46H45NO4/c1-7-19-36(20-8-1)32-48-43-31-47-42(44(49-33-37-21-9-2-10-22-37)45(43)50-34-38-23-11-3-12-24-38)35-51-46(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-45,47H,31-35H2/t42-,43+,44-,45-/m1/s1
InChIKeyNFVZYMIBZIXNJT-SDEIMAHSSA-N
XLogP8.72
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.87
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine?
The IUPAC name of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine (CID 126961869) is (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine.
What is the SMILES notation for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine?
The canonical SMILES for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine is c1ccc(CO[C@H]2[C@H](OCc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)NC[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine?
The InChIKey is NFVZYMIBZIXNJT-SDEIMAHSSA-N. The full InChI is InChI=1S/C46H45NO4/c1-7-19-36(20-8-1)32-48-43-31-47-42(44(49-33-37-21-9-2-10-22-37)45(43)50-34-38-23-11-3-12-24-38)35-51-46(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-30,42-45,47H,31-35H2/t42-,43+,44-,45-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine?
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine has a molecular weight of 675.87 g/mol, XLogP of 8.72, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(trityloxymethyl)piperidine is sourced from PubChem (CID 126961869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).