2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine

C21H25N — CID 70630456

IUPAC2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine
SMILESCCCC(c1ccccc1)(c1ccccc1)C1CCCC=N1
InChIInChI=1S/C21H25N/c1-2-16-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17-22-20/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3
InChIKeyJXRPTKPZHOUMRZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.40
Rot. Bonds5

About 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine

2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine (PubChem CID 70630456) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine
PubChem CID70630456
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine
SMILESCCCC(c1ccccc1)(c1ccccc1)C1CCCC=N1
InChIInChI=1S/C21H25N/c1-2-16-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17-22-20/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3
InChIKeyJXRPTKPZHOUMRZ-UHFFFAOYSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine (CID 70630456) is 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine is CCCC(c1ccccc1)(c1ccccc1)C1CCCC=N1.
What is the InChIKey of 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is JXRPTKPZHOUMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-2-16-21(18-11-5-3-6-12-18,19-13-7-4-8-14-19)20-15-9-10-17-22-20/h3-8,11-14,17,20H,2,9-10,15-16H2,1H3.
What are the key properties of 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine?
2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 291.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylbutyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 70630456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).