methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

C11H20N2O2 — CID 69078835

IUPACmethyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-12(2)7-8-13-6-4-5-10(9-13)11(14)15-3/h5H,4,6-9H2,1-3H3
InChIKeyOHFHYLOZTWWOMD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.35
Rot. Bonds4

About methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 69078835) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID69078835
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCN(C)C)C1
InChIInChI=1S/C11H20N2O2/c1-12(2)7-8-13-6-4-5-10(9-13)11(14)15-3/h5H,4,6-9H2,1-3H3
InChIKeyOHFHYLOZTWWOMD-UHFFFAOYSA-N
XLogP0.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (CID 69078835) is methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCN(C)C)C1.
What is the InChIKey of methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is OHFHYLOZTWWOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12(2)7-8-13-6-4-5-10(9-13)11(14)15-3/h5H,4,6-9H2,1-3H3.
What are the key properties of methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(dimethylamino)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 69078835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).