methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate

C12H17N3O2 — CID 66287109

IUPACmethyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(N)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)11-8-10(2-5-14-11)15-6-3-9(13)4-7-15/h2,5,8-9H,3-4,6-7,13H2,1H3
InChIKeyJGSKJNOBOOWWHP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.80
Rot. Bonds2

About methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate

methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 66287109) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate
PubChem CID66287109
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCC(N)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)11-8-10(2-5-14-11)15-6-3-9(13)4-7-15/h2,5,8-9H,3-4,6-7,13H2,1H3
InChIKeyJGSKJNOBOOWWHP-UHFFFAOYSA-N
XLogP0.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate (CID 66287109) is methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate is COC(=O)c1cc(N2CCC(N)CC2)ccn1.
What is the InChIKey of methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is JGSKJNOBOOWWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)11-8-10(2-5-14-11)15-6-3-9(13)4-7-15/h2,5,8-9H,3-4,6-7,13H2,1H3.
What are the key properties of methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate?
methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-aminopiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 66287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).