ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate

C13H19N3O2 — CID 68568819

IUPACethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-4-7-16(8-5-10)12-9-11(14)3-6-15-12/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,14,15)
InChIKeyVSEHUURFFHENNK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.44
Rot. Bonds3

About ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate

ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 68568819) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
PubChem CID68568819
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-4-7-16(8-5-10)12-9-11(14)3-6-15-12/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,14,15)
InChIKeyVSEHUURFFHENNK-UHFFFAOYSA-N
XLogP1.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylate
CID 115612188
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50806111
ethyl 1-[6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 122281740
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
ethyl 1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidine-4-carboxylate
CID 66334132
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[6-(2-methylbutan-2-yl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849604
ethyl 1-[6-(2-methylpropyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 126849766

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate (CID 68568819) is ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(N)ccn2)CC1.
What is the InChIKey of ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is VSEHUURFFHENNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)10-4-7-16(8-5-10)12-9-11(14)3-6-15-12/h3,6,9-10H,2,4-5,7-8H2,1H3,(H2,14,15).
What are the key properties of ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate?
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 68568819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).