2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine

C14H16N2 — CID 91550611

IUPAC2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine
SMILESCc1cccc(C#CC=C2CCCNC2)n1
InChIInChI=1S/C14H16N2/c1-12-5-2-8-14(16-12)9-3-6-13-7-4-10-15-11-13/h2,5-6,8,15H,4,7,10-11H2,1H3
InChIKeyCBBDGVUPFAHGPR-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.05
Rot. Bonds

About 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine

2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine (PubChem CID 91550611) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine
PubChem CID91550611
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine
SMILESCc1cccc(C#CC=C2CCCNC2)n1
InChIInChI=1S/C14H16N2/c1-12-5-2-8-14(16-12)9-3-6-13-7-4-10-15-11-13/h2,5-6,8,15H,4,7,10-11H2,1H3
InChIKeyCBBDGVUPFAHGPR-UHFFFAOYSA-N
XLogP2.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine?
The IUPAC name of 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine (CID 91550611) is 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine.
What is the SMILES notation for 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine?
The canonical SMILES for 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine is Cc1cccc(C#CC=C2CCCNC2)n1.
What is the InChIKey of 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine?
The InChIKey is CBBDGVUPFAHGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-12-5-2-8-14(16-12)9-3-6-13-7-4-10-15-11-13/h2,5-6,8,15H,4,7,10-11H2,1H3.
What are the key properties of 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine?
2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine has a molecular weight of 212.30 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-piperidin-3-ylideneprop-1-ynyl)pyridine is sourced from PubChem (CID 91550611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).