ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate

C17H23NO2 — CID 10707422

IUPACethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1=C(C)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-3-20-17(19)11-16-9-10-18(12-14(16)2)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyGMRFKBYVJSVIIG-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.16
Rot. Bonds5

About ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate

ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate (PubChem CID 10707422) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
PubChem CID10707422
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
SMILESCCOC(=O)CC1=C(C)CN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-3-20-17(19)11-16-9-10-18(12-14(16)2)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3
InChIKeyGMRFKBYVJSVIIG-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.16
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

ethyl 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 13349686
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 3-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)prop-2-enoate
CID 66897623
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl 2-phenylacetate
CID 7590
ethyl 2-(1-benzylazepan-3-ylidene)acetate
CID 86619134
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
ethyl 2-phenylacetate;hydrate
CID 141257001
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691472
ethyl 2-(1-benzylpiperidin-4-yl)sulfanylacetate
CID 11277813

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The IUPAC name of ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate (CID 10707422) is ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate is CCOC(=O)CC1=C(C)CN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
The InChIKey is GMRFKBYVJSVIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-20-17(19)11-16-9-10-18(12-14(16)2)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3.
What are the key properties of ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate?
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate has a molecular weight of 273.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate is sourced from PubChem (CID 10707422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).