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

C10H14N2 — CID 91284564

IUPAC4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCC=N2)C1
InChIInChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h4,6,8,10H,1-3,5,7H2
InChIKeyCRSVNHOGIQKYDQ-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds1

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

4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine (PubChem CID 91284564) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
PubChem CID91284564
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=NCC=C(C2CCCC=N2)C1
InChIInChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h4,6,8,10H,1-3,5,7H2
InChIKeyCRSVNHOGIQKYDQ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,6,8a-Tetrahydroquinoline
CID 90716025
2-Azabicyclo[2.2.2]octa-2,4-diene
CID 124022677
3,5,8,8a-Tetrahydroquinoline
CID 54491121
2,3-Diethyl-2,5-dihydropyridine
CID 57226784
2-(3,4-Dihydropyridin-5-yl)-2,3-dihydropyridine
CID 88987663
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446
1,4,5,6,7,8-Hexahydroisoquinoline
CID 90733336
5,6,7,7a-tetrahydro-3H-indole
CID 90965222
3,4,6,8a-Tetrahydroquinoline
CID 91059768
3,5,8,8a-Tetrahydro-1,7-naphthyridine
CID 91087833
3,5,6,7,8,8a-Hexahydroquinoline
CID 91149336

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The IUPAC name of 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine (CID 91284564) is 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine is C1=NCC=C(C2CCCC=N2)C1.
What is the InChIKey of 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
The InChIKey is CRSVNHOGIQKYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h4,6,8,10H,1-3,5,7H2.
What are the key properties of 4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine?
4-(2,3,4,5-tetrahydropyridin-2-yl)-2,5-dihydropyridine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 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-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 91284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).