(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol

C31H31NO2 — CID 11561465

IUPAC(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
SMILESO[C@@H]1C[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C31H31NO2/c33-29-21-30(24-32(23-29)22-25-13-5-1-6-14-25)34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30,33H,21-24H2/t29-,30-/m1/s1
InChIKeyUNHWSGAUGSAISU-LOYHVIPDSA-N
MW449.59 g/mol
LogP5.63
Rot. Bonds7

About (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol

(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol (PubChem CID 11561465) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
PubChem CID11561465
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol
SMILESO[C@@H]1C[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C31H31NO2/c33-29-21-30(24-32(23-29)22-25-13-5-1-6-14-25)34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30,33H,21-24H2/t29-,30-/m1/s1
InChIKeyUNHWSGAUGSAISU-LOYHVIPDSA-N
XLogP5.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
1-benzyl-5-(difluoromethyl)piperidin-3-ol
CID 126716011
(1S,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
CID 24823154
(3R,5S)-1-benzyl-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-ol
CID 11792818
(3R,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-ol
CID 11579361
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
6-amino-1-benzylazepan-3-ol
CID 83486567
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol?
The IUPAC name of (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol (CID 11561465) is (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol.
What is the SMILES notation for (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol?
The canonical SMILES for (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol is O[C@@H]1C[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)CN(Cc2ccccc2)C1.
What is the InChIKey of (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol?
The InChIKey is UNHWSGAUGSAISU-LOYHVIPDSA-N. The full InChI is InChI=1S/C31H31NO2/c33-29-21-30(24-32(23-29)22-25-13-5-1-6-14-25)34-31(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30,33H,21-24H2/t29-,30-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol?
(3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol has a molecular weight of 449.59 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-5-trityloxypiperidin-3-ol is sourced from PubChem (CID 11561465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).