1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine

C20H19N — CID 11821785

IUPAC1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
SMILESC(#Cc1ccccc1)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H19N/c1-3-7-18(8-4-1)11-12-19-13-15-21(16-14-19)17-20-9-5-2-6-10-20/h1-10,13H,14-17H2
InChIKeyMHPFYZACLUEXBM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.87
Rot. Bonds2

About 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine

1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine (PubChem CID 11821785) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
PubChem CID11821785
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine
SMILESC(#Cc1ccccc1)C1=CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H19N/c1-3-7-18(8-4-1)11-12-19-13-15-21(16-14-19)17-20-9-5-2-6-10-20/h1-10,13H,14-17H2
InChIKeyMHPFYZACLUEXBM-UHFFFAOYSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
CID 10330491
1-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol
CID 19900296
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
4-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 22499416
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)ethanol;ethane
CID 143581792
1-benzyl-4-cyclopropyloxy-3,6-dihydro-2H-pyridine
CID 178156806
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-thiophen-2-yl-3,6-dihydro-2H-pyridine
CID 59628497
1-benzylazepane
CID 10954328
2-methyl-3-[4-(2-phenylethynyl)-3,6-dihydro-2H-pyridin-1-yl]-1H-indole
CID 54442889
3-amino-2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)but-2-enenitrile
CID 69270094
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzimidazole
CID 749986

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine (CID 11821785) is 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine is C(#Cc1ccccc1)C1=CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine?
The InChIKey is MHPFYZACLUEXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-3-7-18(8-4-1)11-12-19-13-15-21(16-14-19)17-20-9-5-2-6-10-20/h1-10,13H,14-17H2.
What are the key properties of 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine?
1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine has a molecular weight of 273.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylethynyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11821785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).