3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol

C31H36N2O — CID 69024962

IUPAC3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=CCN1CCCCC1
InChIInChI=1S/C31H36N2O/c34-30-20-24-33(25-26(30)19-23-32-21-11-4-12-22-32)31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-3,5-10,13-19,30,34H,4,11-12,20-25H2
InChIKeyMTLOJVULZZZPKH-UHFFFAOYSA-N
MW452.64 g/mol
LogP5.46
Rot. Bonds6

About 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol

3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol (PubChem CID 69024962) has the molecular formula C31H36N2O and a molecular weight of 452.64 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol
PubChem CID69024962
Molecular FormulaC31H36N2O
Molecular Weight452.64 g/mol
Exact Mass452.28
IUPAC Name3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol
SMILESOC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=CCN1CCCCC1
InChIInChI=1S/C31H36N2O/c34-30-20-24-33(25-26(30)19-23-32-21-11-4-12-22-32)31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-3,5-10,13-19,30,34H,4,11-12,20-25H2
InChIKeyMTLOJVULZZZPKH-UHFFFAOYSA-N
XLogP5.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol?
The IUPAC name of 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol (CID 69024962) is 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol.
What is the SMILES notation for 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol?
The canonical SMILES for 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol is OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=CCN1CCCCC1.
What is the InChIKey of 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol?
The InChIKey is MTLOJVULZZZPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2O/c34-30-20-24-33(25-26(30)19-23-32-21-11-4-12-22-32)31(27-13-5-1-6-14-27,28-15-7-2-8-16-28)29-17-9-3-10-18-29/h1-3,5-10,13-19,30,34H,4,11-12,20-25H2.
What are the key properties of 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol?
3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol has a molecular weight of 452.64 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethylidene)-1-tritylpiperidin-4-ol is sourced from PubChem (CID 69024962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).