ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride

C10H18ClNO2 — CID 70068385

IUPACethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1CC(CC)=CCN1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-3-8-5-6-11-9(7-8)10(12)13-4-2;/h5,9,11H,3-4,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeySZXYUZKRXXPIAH-SBSPUUFOSA-N
MW219.71 g/mol
LogP1.67
Rot. Bonds3

About ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride

ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride (PubChem CID 70068385) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride
PubChem CID70068385
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Nameethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride
SMILESCCOC(=O)[C@H]1CC(CC)=CCN1.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-3-8-5-6-11-9(7-8)10(12)13-4-2;/h5,9,11H,3-4,6-7H2,1-2H3;1H/t9-;/m1./s1
InChIKeySZXYUZKRXXPIAH-SBSPUUFOSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride (CID 70068385) is ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride is CCOC(=O)[C@H]1CC(CC)=CCN1.Cl.
What is the InChIKey of ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride?
The InChIKey is SZXYUZKRXXPIAH-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-3-8-5-6-11-9(7-8)10(12)13-4-2;/h5,9,11H,3-4,6-7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride?
ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-ethyl-1,2,3,6-tetrahydropyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 70068385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).