(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol

C31H30N2O — CID 68764878

IUPAC(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol
SMILESCc1cccc(/C=C2\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1
InChIInChI=1S/C31H30N2O/c1-24-12-11-19-29(32-24)22-25-23-33(21-20-30(25)34)31(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-19,22,30,34H,20-21,23H2,1H3/b25-22+
InChIKeyUOSXHFFNAZHWBX-YYDJUVGSSA-N
MW446.59 g/mol
LogP5.83
Rot. Bonds5

About (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol

(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol (PubChem CID 68764878) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol
PubChem CID68764878
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol
SMILESCc1cccc(/C=C2\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1
InChIInChI=1S/C31H30N2O/c1-24-12-11-19-29(32-24)22-25-23-33(21-20-30(25)34)31(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-19,22,30,34H,20-21,23H2,1H3/b25-22+
InChIKeyUOSXHFFNAZHWBX-YYDJUVGSSA-N
XLogP5.83
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.83
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 (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol?
The IUPAC name of (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol (CID 68764878) is (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol.
What is the SMILES notation for (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol?
The canonical SMILES for (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol is Cc1cccc(/C=C2\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)n1.
What is the InChIKey of (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol?
The InChIKey is UOSXHFFNAZHWBX-YYDJUVGSSA-N. The full InChI is InChI=1S/C31H30N2O/c1-24-12-11-19-29(32-24)22-25-23-33(21-20-30(25)34)31(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-19,22,30,34H,20-21,23H2,1H3/b25-22+.
What are the key properties of (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol?
(3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol has a molecular weight of 446.59 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(6-methyl-2-pyridinyl)methylidene]-1-tritylpiperidin-4-ol is sourced from PubChem (CID 68764878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).