2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine

C20H20N2 — CID 25183826

IUPAC2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CC=C2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H20N2/c1-17-7-5-9-19(21-17)10-6-8-18-13-15-22(16-14-18)20-11-3-2-4-12-20/h2-5,7-9,11-12H,13-16H2,1H3
InChIKeyPGDZTLDIKMARHN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.97
Rot. Bonds1

About 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine

2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine (PubChem CID 25183826) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine
PubChem CID25183826
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine
SMILESCc1cccc(C#CC=C2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C20H20N2/c1-17-7-5-9-19(21-17)10-6-8-18-13-15-22(16-14-18)20-11-3-2-4-12-20/h2-5,7-9,11-12H,13-16H2,1H3
InChIKeyPGDZTLDIKMARHN-UHFFFAOYSA-N
XLogP3.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.97
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-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine?
The IUPAC name of 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine (CID 25183826) is 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine?
The canonical SMILES for 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine is Cc1cccc(C#CC=C2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine?
The InChIKey is PGDZTLDIKMARHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-17-7-5-9-19(21-17)10-6-8-18-13-15-22(16-14-18)20-11-3-2-4-12-20/h2-5,7-9,11-12H,13-16H2,1H3.
What are the key properties of 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine?
2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine has a molecular weight of 288.39 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1-phenylpiperidin-4-ylidene)prop-1-ynyl]pyridine is sourced from PubChem (CID 25183826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).