[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol

C24H26NO2P — CID 134970001

IUPAC[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)N1CCC[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C24H26NO2P/c26-19-21-13-10-18-25(24(21)20-11-4-1-5-12-20)28(27,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,21,24,26H,10,13,18-19H2/t21-,24-/m0/s1
InChIKeyYOZOBDNQWWTRSD-URXFXBBRSA-N
MW391.45 g/mol
LogP4.36
Rot. Bonds5

About [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol

[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol (PubChem CID 134970001) has the molecular formula C24H26NO2P and a molecular weight of 391.45 g/mol. Its IUPAC name is [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol
PubChem CID134970001
Molecular FormulaC24H26NO2P
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol
SMILESO=P(c1ccccc1)(c1ccccc1)N1CCC[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C24H26NO2P/c26-19-21-13-10-18-25(24(21)20-11-4-1-5-12-20)28(27,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,21,24,26H,10,13,18-19H2/t21-,24-/m0/s1
InChIKeyYOZOBDNQWWTRSD-URXFXBBRSA-N
XLogP4.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol (CID 134970001) is [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol is O=P(c1ccccc1)(c1ccccc1)N1CCC[C@@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol?
The InChIKey is YOZOBDNQWWTRSD-URXFXBBRSA-N. The full InChI is InChI=1S/C24H26NO2P/c26-19-21-13-10-18-25(24(21)20-11-4-1-5-12-20)28(27,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,21,24,26H,10,13,18-19H2/t21-,24-/m0/s1.
What are the key properties of [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol?
[(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol has a molecular weight of 391.45 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-diphenylphosphoryl-2-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 134970001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).