2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride

C12H16Cl2N2 — CID 91623946

IUPAC2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride
SMILESC(#CC1CCNCC1)c1ccccn1.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;;/h1-3,8,11,13H,6-7,9-10H2;2*1H
InChIKeyWKNOJGWDIFKLCD-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.28
Rot. Bonds

About 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride

2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride (PubChem CID 91623946) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride
PubChem CID91623946
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride
SMILESC(#CC1CCNCC1)c1ccccn1.Cl.Cl
InChIInChI=1S/C12H14N2.2ClH/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;;/h1-3,8,11,13H,6-7,9-10H2;2*1H
InChIKeyWKNOJGWDIFKLCD-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Anabasine
CID 205586
(+-)-Anabasine
CID 2181
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
2-Pyridinemethanamine
CID 19509
(-)-Anatabine
CID 11388
Betahistine Hydrochloride
CID 68643
Bis(2-pyridylmethyl)amine
CID 73759
Picoplatin
CID 177358
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
1,2-Di(2-pyridyl)ethylene
CID 5374802
(+-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
CID 261474

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride?
The IUPAC name of 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride (CID 91623946) is 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride.
What is the SMILES notation for 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride?
The canonical SMILES for 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride is C(#CC1CCNCC1)c1ccccn1.Cl.Cl.
What is the InChIKey of 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride?
The InChIKey is WKNOJGWDIFKLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2ClH/c1-2-8-14-12(3-1)5-4-11-6-9-13-10-7-11;;/h1-3,8,11,13H,6-7,9-10H2;2*1H.
What are the key properties of 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride?
2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethynyl)pyridine;dihydrochloride is sourced from PubChem (CID 91623946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).