2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid

C13H19N3O2 — CID 114992644

IUPAC2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccncc1)N1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-13(12(17)18,10-2-6-15-7-3-10)16-8-4-11(14)5-9-16/h2-3,6-7,11H,4-5,8-9,14H2,1H3,(H,17,18)
InChIKeyYYJWHEKNBVDMDA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid

2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid (PubChem CID 114992644) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
PubChem CID114992644
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccncc1)N1CCC(N)CC1
InChIInChI=1S/C13H19N3O2/c1-13(12(17)18,10-2-6-15-7-3-10)16-8-4-11(14)5-9-16/h2-3,6-7,11H,4-5,8-9,14H2,1H3,(H,17,18)
InChIKeyYYJWHEKNBVDMDA-UHFFFAOYSA-N
XLogP0.80
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid (CID 114992644) is 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid is CC(C(=O)O)(c1ccncc1)N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
The InChIKey is YYJWHEKNBVDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(12(17)18,10-2-6-15-7-3-10)16-8-4-11(14)5-9-16/h2-3,6-7,11H,4-5,8-9,14H2,1H3,(H,17,18).
What are the key properties of 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid?
2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 249.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 114992644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).