6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine

C13H17NO — CID 21406190

IUPAC6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NC(c2ccccc2)CCC1
InChIInChI=1S/C13H17NO/c1-2-15-13-10-6-9-12(14-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyUBUJJGQNAMFBDR-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.35
Rot. Bonds2

About 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine

6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine (PubChem CID 21406190) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine
PubChem CID21406190
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NC(c2ccccc2)CCC1
InChIInChI=1S/C13H17NO/c1-2-15-13-10-6-9-12(14-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChIKeyUBUJJGQNAMFBDR-UHFFFAOYSA-N
XLogP3.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine (CID 21406190) is 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine is CCOC1=NC(c2ccccc2)CCC1.
What is the InChIKey of 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine?
The InChIKey is UBUJJGQNAMFBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-15-13-10-6-9-12(14-13)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3.
What are the key properties of 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine?
6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine has a molecular weight of 203.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-phenyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 21406190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).