ethyl 6-piperidin-1-ylpyridine-2-carboxylate

C13H18N2O2 — CID 146501154

IUPACethyl 6-piperidin-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-6-8-12(14-11)15-9-4-3-5-10-15/h6-8H,2-5,9-10H2,1H3
InChIKeyQPMKDRKDUQJPMM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.25
Rot. Bonds3

About ethyl 6-piperidin-1-ylpyridine-2-carboxylate

ethyl 6-piperidin-1-ylpyridine-2-carboxylate (PubChem CID 146501154) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 6-piperidin-1-ylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-piperidin-1-ylpyridine-2-carboxylate
PubChem CID146501154
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 6-piperidin-1-ylpyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-6-8-12(14-11)15-9-4-3-5-10-15/h6-8H,2-5,9-10H2,1H3
InChIKeyQPMKDRKDUQJPMM-UHFFFAOYSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-piperidin-1-ylpyridine-2-carboxylate?
The IUPAC name of ethyl 6-piperidin-1-ylpyridine-2-carboxylate (CID 146501154) is ethyl 6-piperidin-1-ylpyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-piperidin-1-ylpyridine-2-carboxylate?
The canonical SMILES for ethyl 6-piperidin-1-ylpyridine-2-carboxylate is CCOC(=O)c1cccc(N2CCCCC2)n1.
What is the InChIKey of ethyl 6-piperidin-1-ylpyridine-2-carboxylate?
The InChIKey is QPMKDRKDUQJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-6-8-12(14-11)15-9-4-3-5-10-15/h6-8H,2-5,9-10H2,1H3.
What are the key properties of ethyl 6-piperidin-1-ylpyridine-2-carboxylate?
ethyl 6-piperidin-1-ylpyridine-2-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-piperidin-1-ylpyridine-2-carboxylate is sourced from PubChem (CID 146501154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).