ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride

C15H20ClNO2 — CID 2893620

IUPACethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1=CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-8H,2,9-12H2,1H3;1H
InChIKeyFGCZOXGJFCPSAT-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.80
Rot. Bonds4

About ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride

ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride (PubChem CID 2893620) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride
PubChem CID2893620
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Nameethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1=CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C15H19NO2.ClH/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-8H,2,9-12H2,1H3;1H
InChIKeyFGCZOXGJFCPSAT-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride (CID 2893620) is ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride is CCOC(=O)C1=CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride?
The InChIKey is FGCZOXGJFCPSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2.ClH/c1-2-18-15(17)14-8-10-16(11-9-14)12-13-6-4-3-5-7-13;/h3-8H,2,9-12H2,1H3;1H.
What are the key properties of ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride?
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride has a molecular weight of 281.78 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 2893620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).