4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine

C10H14N2 — CID 91198171

IUPAC4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCC=NC2)C1
InChIInChI=1S/C10H14N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h3,5,7,10H,1-2,4,6,8H2
InChIKeyCXVLXLFISWREIM-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.87
Rot. Bonds1

About 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine

4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine (PubChem CID 91198171) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine
PubChem CID91198171
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCC=NC2)C1
InChIInChI=1S/C10H14N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h3,5,7,10H,1-2,4,6,8H2
InChIKeyCXVLXLFISWREIM-UHFFFAOYSA-N
XLogP1.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

3,4,4a,5,8,8a-Hexahydroisoquinoline
CID 123941003
2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
N-cyclohexyl-1-(4,6-dimethylcyclohex-3-en-1-yl)methanimine
CID 23391680
5,6,7,7a-tetrahydro-1H-isoindole
CID 53791560
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
3-Cyclobutyl-2,5-dihydropyridine
CID 57006767
4-Cyclobutyl-2,5-dihydropyridine
CID 57080899
(8aS)-1,4,6,7,8,8a-hexahydroisoquinoline
CID 57106728
4,4a,4b,5,6,8a-hexahydro-1H-pyrido[3,4-b]indole
CID 57132388
3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
3,4,4a,5,6,8a-Hexahydroisoquinoline
CID 57198919
4-Cyclohexyl-2,5-dihydropyridine
CID 57199246

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine?
The IUPAC name of 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine (CID 91198171) is 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine.
What is the SMILES notation for 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine?
The canonical SMILES for 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine is C1=NCC=C(C2CCC=NC2)C1.
What is the InChIKey of 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine?
The InChIKey is CXVLXLFISWREIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h3,5,7,10H,1-2,4,6,8H2.
What are the key properties of 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine?
4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine has a molecular weight of 162.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrahydropyridin-3-yl)-2,5-dihydropyridine is sourced from PubChem (CID 91198171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).