(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol

C35H39NO2 — CID 11103163

IUPAC(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1[C@H](c1ccccc1)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H39NO2/c1-27-16-15-17-28(2)36(27)34(29-18-7-3-8-19-29)33(37)26-38-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-14,18-25,27-28,33-34,37H,15-17,26H2,1-2H3/t27-,28+,33-,34+/m0/s1
InChIKeyYLXKTWZXPQEUGZ-BLXACNBASA-N
MW505.70 g/mol
LogP7.36
Rot. Bonds9

About (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol

(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol (PubChem CID 11103163) has the molecular formula C35H39NO2 and a molecular weight of 505.70 g/mol. Its IUPAC name is (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol
PubChem CID11103163
Molecular FormulaC35H39NO2
Molecular Weight505.70 g/mol
Exact Mass505.30
IUPAC Name(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol
SMILESC[C@@H]1CCC[C@H](C)N1[C@H](c1ccccc1)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H39NO2/c1-27-16-15-17-28(2)36(27)34(29-18-7-3-8-19-29)33(37)26-38-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-14,18-25,27-28,33-34,37H,15-17,26H2,1-2H3/t27-,28+,33-,34+/m0/s1
InChIKeyYLXKTWZXPQEUGZ-BLXACNBASA-N
XLogP7.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.70
LogP ≤ 57.36
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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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol?
The IUPAC name of (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol (CID 11103163) is (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol.
What is the SMILES notation for (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol?
The canonical SMILES for (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol is C[C@@H]1CCC[C@H](C)N1[C@H](c1ccccc1)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol?
The InChIKey is YLXKTWZXPQEUGZ-BLXACNBASA-N. The full InChI is InChI=1S/C35H39NO2/c1-27-16-15-17-28(2)36(27)34(29-18-7-3-8-19-29)33(37)26-38-35(30-20-9-4-10-21-30,31-22-11-5-12-23-31)32-24-13-6-14-25-32/h3-14,18-25,27-28,33-34,37H,15-17,26H2,1-2H3/t27-,28+,33-,34+/m0/s1.
What are the key properties of (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol?
(1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol has a molecular weight of 505.70 g/mol, XLogP of 7.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-phenyl-3-trityloxypropan-2-ol is sourced from PubChem (CID 11103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).