2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine

C14H14N2 — CID 15131255

IUPAC2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine
SMILESC(C#CN1CCCCC1)#Cc1ccccn1
InChIInChI=1S/C14H14N2/c1-5-11-16(12-6-1)13-7-3-9-14-8-2-4-10-15-14/h2,4,8,10H,1,5-6,11-12H2
InChIKeyXAVNRSFRHFRGAO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.88
Rot. Bonds

About 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine

2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine (PubChem CID 15131255) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine.

Molecular Properties

Compound Name2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine
PubChem CID15131255
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine
SMILESC(C#CN1CCCCC1)#Cc1ccccn1
InChIInChI=1S/C14H14N2/c1-5-11-16(12-6-1)13-7-3-9-14-8-2-4-10-15-14/h2,4,8,10H,1,5-6,11-12H2
InChIKeyXAVNRSFRHFRGAO-UHFFFAOYSA-N
XLogP1.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
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-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine?
The IUPAC name of 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine (CID 15131255) is 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine.
What is the SMILES notation for 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine?
The canonical SMILES for 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine is C(C#CN1CCCCC1)#Cc1ccccn1.
What is the InChIKey of 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine?
The InChIKey is XAVNRSFRHFRGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-5-11-16(12-6-1)13-7-3-9-14-8-2-4-10-15-14/h2,4,8,10H,1,5-6,11-12H2.
What are the key properties of 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine?
2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine has a molecular weight of 210.28 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylbuta-1,3-diynyl)pyridine is sourced from PubChem (CID 15131255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).