ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate

C13H19N3O2 — CID 80647768

IUPACethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cccc(N)n1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-6-3-4-9-16(10)12-8-5-7-11(14)15-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,14,15)
InChIKeyJHYJWLLXSKEGID-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.59
Rot. Bonds3

About ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate

ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 80647768) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
PubChem CID80647768
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cccc(N)n1
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)10-6-3-4-9-16(10)12-8-5-7-11(14)15-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,14,15)
InChIKeyJHYJWLLXSKEGID-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(4-cyano-6-methyl-2-pyridinyl)piperidine-2-carboxylate
CID 114765903
ethyl 1-(1,3-benzothiazol-2-yl)piperidine-2-carboxylate
CID 18721820
ethyl 1-(5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115539350
ethyl 1-(6-methoxy-2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 66333084
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444
ethyl 1-(3-fluoro-2-nitrophenyl)piperidine-2-carboxylate
CID 115539392
ethyl 1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidine-2-carboxylate
CID 107546692
ethyl 1-(4-carbamothioylphenyl)piperidine-2-carboxylate
CID 43648340
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 114051037
ethyl 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-2-carboxylate
CID 4552361

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate (CID 80647768) is ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cccc(N)n1.
What is the InChIKey of ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is JHYJWLLXSKEGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)10-6-3-4-9-16(10)12-8-5-7-11(14)15-12/h5,7-8,10H,2-4,6,9H2,1H3,(H2,14,15).
What are the key properties of ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate?
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 80647768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).