2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine

C10H16N2 — CID 91078493

IUPAC2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine
SMILESC1=CC(C2CCCC=N2)CNC1
InChIInChI=1S/C10H16N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,7,9-11H,1-2,5-6,8H2
InChIKeyNQAWBTMMPRPPNX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.39
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine

2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine (PubChem CID 91078493) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine
PubChem CID91078493
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine
SMILESC1=CC(C2CCCC=N2)CNC1
InChIInChI=1S/C10H16N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,7,9-11H,1-2,5-6,8H2
InChIKeyNQAWBTMMPRPPNX-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine 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

3,6-Dihydronicotine
CID 90658036
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499
(4aR,9bR)-4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422277
4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422278
3a,5,6,7,8,8a,9,9a-octahydro-3H-pyrrolo[2,3-g]isoquinoline
CID 56634276
3-N-(2-cyclohex-3-en-1-yl-4-methylcyclohexen-1-yl)-5-iminopentane-1,3-diamine
CID 89395409
(3R,6S)-3-ethynyl-6-[(2R,5S)-5-ethynyl-2,3,4,5-tetrahydropyridin-2-yl]-1,2,3,6-tetrahydropyridine
CID 90321779
1,2,4a,5,6,8a-Hexahydro-1,7-naphthyridine
CID 90701591
1,2,4a,7,8,8a-Hexahydro-1,6-naphthyridine
CID 91329210
4,4a,5,5a,6,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 91602910
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
CID 123222540
1-cyclohexyl-N-(2,5-dihydropyridin-3-ylmethyl)propan-2-amine
CID 123362170

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine (CID 91078493) is 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine is C1=CC(C2CCCC=N2)CNC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine?
The InChIKey is NQAWBTMMPRPPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,7,9-11H,1-2,5-6,8H2.
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine?
2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine has a molecular weight of 164.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-3-yl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 91078493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).