3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine

C14H18N2 — CID 168665764

IUPAC3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine
SMILESC#Cc1ccc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C14H18N2/c1-4-13-7-8-14(15-12(13)3)16-9-5-6-11(2)10-16/h1,7-8,11H,5-6,9-10H2,2-3H3
InChIKeyACJONTQMXYCNFY-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.61
Rot. Bonds1

About 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine

3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine (PubChem CID 168665764) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine
PubChem CID168665764
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine
SMILESC#Cc1ccc(N2CCCC(C)C2)nc1C
InChIInChI=1S/C14H18N2/c1-4-13-7-8-14(15-12(13)3)16-9-5-6-11(2)10-16/h1,7-8,11H,5-6,9-10H2,2-3H3
InChIKeyACJONTQMXYCNFY-UHFFFAOYSA-N
XLogP2.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.61
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 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine (CID 168665764) is 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine is C#Cc1ccc(N2CCCC(C)C2)nc1C.
What is the InChIKey of 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine?
The InChIKey is ACJONTQMXYCNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-13-7-8-14(15-12(13)3)16-9-5-6-11(2)10-16/h1,7-8,11H,5-6,9-10H2,2-3H3.
What are the key properties of 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine?
3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine has a molecular weight of 214.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2-methyl-6-(3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 168665764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).