ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate

C14H17NO2 — CID 73015655

IUPACethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccccc2)NC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-8-9-13(15-10-12)11-6-4-3-5-7-11/h3-8,13,15H,2,9-10H2,1H3
InChIKeyLLQGEVGLABVYGR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.21
Rot. Bonds3

About ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate

ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate (PubChem CID 73015655) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
PubChem CID73015655
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate
SMILESCCOC(=O)C1=CCC(c2ccccc2)NC1
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)12-8-9-13(15-10-12)11-6-4-3-5-7-11/h3-8,13,15H,2,9-10H2,1H3
InChIKeyLLQGEVGLABVYGR-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate (CID 73015655) is ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate is CCOC(=O)C1=CCC(c2ccccc2)NC1.
What is the InChIKey of ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
The InChIKey is LLQGEVGLABVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)12-8-9-13(15-10-12)11-6-4-3-5-7-11/h3-8,13,15H,2,9-10H2,1H3.
What are the key properties of ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate?
ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate has a molecular weight of 231.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-1,2,3,6-tetrahydropyridine-5-carboxylate is sourced from PubChem (CID 73015655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).