2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride

C21H34Cl2N2O3 — CID 24844452

IUPAC2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride
SMILESCCN(CC)CCOCCOC(=O)C(c1ccccc1)N1CC=CCC1.Cl.Cl
InChIInChI=1S/C21H32N2O3.2ClH/c1-3-22(4-2)15-16-25-17-18-26-21(24)20(19-11-7-5-8-12-19)23-13-9-6-10-14-23;;/h5-9,11-12,20H,3-4,10,13-18H2,1-2H3;2*1H
InChIKeyVFJFJOSAKXTELV-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.73
Rot. Bonds11

About 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride

2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride (PubChem CID 24844452) has the molecular formula C21H34Cl2N2O3 and a molecular weight of 433.42 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride
PubChem CID24844452
Molecular FormulaC21H34Cl2N2O3
Molecular Weight433.42 g/mol
Exact Mass432.19
IUPAC Name2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride
SMILESCCN(CC)CCOCCOC(=O)C(c1ccccc1)N1CC=CCC1.Cl.Cl
InChIInChI=1S/C21H32N2O3.2ClH/c1-3-22(4-2)15-16-25-17-18-26-21(24)20(19-11-7-5-8-12-19)23-13-9-6-10-14-23;;/h5-9,11-12,20H,3-4,10,13-18H2,1-2H3;2*1H
InChIKeyVFJFJOSAKXTELV-UHFFFAOYSA-N
XLogP3.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Camylofin
CID 5902
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Camylofin hydrochloride
CID 23724817
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(4-methylpiperidin-1-yl)-2-phenylpropanoate
CID 24988641
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-piperidin-1-ylpropanoate
CID 24988644
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
Piprocurarium Iodide
CID 24418
Camiverine
CID 40984
Dipiproverine
CID 72072
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(azepin-1-yl)-2-phenylpropanoate
CID 57402222
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride?
The IUPAC name of 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride (CID 24844452) is 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride is CCN(CC)CCOCCOC(=O)C(c1ccccc1)N1CC=CCC1.Cl.Cl.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride?
The InChIKey is VFJFJOSAKXTELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3.2ClH/c1-3-22(4-2)15-16-25-17-18-26-21(24)20(19-11-7-5-8-12-19)23-13-9-6-10-14-23;;/h5-9,11-12,20H,3-4,10,13-18H2,1-2H3;2*1H.
What are the key properties of 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride?
2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride has a molecular weight of 433.42 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate;dihydrochloride is sourced from PubChem (CID 24844452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).