1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate

C17H24NO2- — CID 18928792

IUPAC1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate
SMILESCC(=O)[O-].CCC1CC=C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H21N.C2H4O2/c1-3-15-10-9-13(2)11-16(15)12-14-7-5-4-6-8-14;1-2(3)4/h4-9,15H,3,10-12H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyCNDKWGMUCLQCSY-UHFFFAOYSA-M
MW274.38 g/mol
LogP2.37
Rot. Bonds3

About 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate

1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate (PubChem CID 18928792) has the molecular formula C17H24NO2- and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate.

Molecular Properties

Compound Name1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate
PubChem CID18928792
Molecular FormulaC17H24NO2-
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate
SMILESCC(=O)[O-].CCC1CC=C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H21N.C2H4O2/c1-3-15-10-9-13(2)11-16(15)12-14-7-5-4-6-8-14;1-2(3)4/h4-9,15H,3,10-12H2,1-2H3;1H3,(H,3,4)/p-1
InChIKeyCNDKWGMUCLQCSY-UHFFFAOYSA-M
XLogP2.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol
CID 162763302
(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
(2R)-1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylic acid;hydrochloride
CID 70096339
ethyl 1-benzyl-4-methyl-3,6-dihydro-2H-pyridine-2-carboxylate
CID 14470232
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
(2R,5R,8R,11R)-1,7-dibenzyl-2,5,8,11-tetraethyl-1,7-diaza-4,10-diazoniacyclododecane dibromide
CID 139057047
(3aS,7aR)-2-benzyl-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 739301
methyl 4-benzyl-2-ethyl-5-(hydroxymethyl)piperazine-1-carboxylate
CID 21336859
methyl 1-benzyl-5-bromo-3,6-dihydro-2H-pyridine-2-carboxylate
CID 175451667
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
(2S,4S)-1-benzyl-2,4-diethylazetidine-2,4-dicarboxylate
CID 135393408

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate?
The IUPAC name of 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate (CID 18928792) is 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate.
What is the SMILES notation for 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate?
The canonical SMILES for 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate is CC(=O)[O-].CCC1CC=C(C)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate?
The InChIKey is CNDKWGMUCLQCSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H21N.C2H4O2/c1-3-15-10-9-13(2)11-16(15)12-14-7-5-4-6-8-14;1-2(3)4/h4-9,15H,3,10-12H2,1-2H3;1H3,(H,3,4)/p-1.
What are the key properties of 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate?
1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate has a molecular weight of 274.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate is sourced from PubChem (CID 18928792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).