3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

C12H17N3O2 — CID 6485183

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)
InChIKeyXQYZTEXKRYMSQG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.68
Rot. Bonds4

About 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid (PubChem CID 6485183) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
PubChem CID6485183
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)
InChIKeyXQYZTEXKRYMSQG-UHFFFAOYSA-N
XLogP0.68
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid (CID 6485183) is 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid is O=C(O)CCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
The InChIKey is XQYZTEXKRYMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17).
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid?
3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 6485183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).