1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine

C17H25NO2 — CID 15192633

IUPAC1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCCOC(CN1CC=C(c2ccccc2)CC1)OCC
InChIInChI=1S/C17H25NO2/c1-3-19-17(20-4-2)14-18-12-10-16(11-13-18)15-8-6-5-7-9-15/h5-10,17H,3-4,11-14H2,1-2H3
InChIKeyLCEJMYCCGNAEDZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine

1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 15192633) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID15192633
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCCOC(CN1CC=C(c2ccccc2)CC1)OCC
InChIInChI=1S/C17H25NO2/c1-3-19-17(20-4-2)14-18-12-10-16(11-13-18)15-8-6-5-7-9-15/h5-10,17H,3-4,11-14H2,1-2H3
InChIKeyLCEJMYCCGNAEDZ-UHFFFAOYSA-N
XLogP3.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine (CID 15192633) is 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine is CCOC(CN1CC=C(c2ccccc2)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is LCEJMYCCGNAEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-19-17(20-4-2)14-18-12-10-16(11-13-18)15-8-6-5-7-9-15/h5-10,17H,3-4,11-14H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 275.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15192633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).