(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol

C18H20N2O2 — CID 125491667

IUPAC(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol
SMILESO=NN1CCC[C@@H](O)[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-16-12-7-13-20(19-22)18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-18,21H,7,12-13H2/t16-,18+/m1/s1
InChIKeyUQLIAGBLZXLPCA-AEFFLSMTSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds4

About (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol

(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol (PubChem CID 125491667) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol
PubChem CID125491667
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol
SMILESO=NN1CCC[C@@H](O)[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-16-12-7-13-20(19-22)18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-18,21H,7,12-13H2/t16-,18+/m1/s1
InChIKeyUQLIAGBLZXLPCA-AEFFLSMTSA-N
XLogP3.33
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol?
The IUPAC name of (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol (CID 125491667) is (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol.
What is the SMILES notation for (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol?
The canonical SMILES for (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol is O=NN1CCC[C@@H](O)[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol?
The InChIKey is UQLIAGBLZXLPCA-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-16-12-7-13-20(19-22)18(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-18,21H,7,12-13H2/t16-,18+/m1/s1.
What are the key properties of (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol?
(2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol has a molecular weight of 296.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzhydryl-1-nitrosopiperidin-3-ol is sourced from PubChem (CID 125491667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).