3-piperazin-1-yl-2H-pyridin-3-amine

C9H16N4 — CID 19981942

IUPAC3-piperazin-1-yl-2H-pyridin-3-amine
SMILESNC1(N2CCNCC2)C=CC=NC1
InChIInChI=1S/C9H16N4/c10-9(2-1-3-12-8-9)13-6-4-11-5-7-13/h1-3,11H,4-8,10H2
InChIKeyHAPYJYWLEVKLPC-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.81
Rot. Bonds1

About 3-piperazin-1-yl-2H-pyridin-3-amine

3-piperazin-1-yl-2H-pyridin-3-amine (PubChem CID 19981942) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-piperazin-1-yl-2H-pyridin-3-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-2H-pyridin-3-amine
PubChem CID19981942
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-piperazin-1-yl-2H-pyridin-3-amine
SMILESNC1(N2CCNCC2)C=CC=NC1
InChIInChI=1S/C9H16N4/c10-9(2-1-3-12-8-9)13-6-4-11-5-7-13/h1-3,11H,4-8,10H2
InChIKeyHAPYJYWLEVKLPC-UHFFFAOYSA-N
XLogP-0.81
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-2H-pyridin-3-amine?
The IUPAC name of 3-piperazin-1-yl-2H-pyridin-3-amine (CID 19981942) is 3-piperazin-1-yl-2H-pyridin-3-amine.
What is the SMILES notation for 3-piperazin-1-yl-2H-pyridin-3-amine?
The canonical SMILES for 3-piperazin-1-yl-2H-pyridin-3-amine is NC1(N2CCNCC2)C=CC=NC1.
What is the InChIKey of 3-piperazin-1-yl-2H-pyridin-3-amine?
The InChIKey is HAPYJYWLEVKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9(2-1-3-12-8-9)13-6-4-11-5-7-13/h1-3,11H,4-8,10H2.
What are the key properties of 3-piperazin-1-yl-2H-pyridin-3-amine?
3-piperazin-1-yl-2H-pyridin-3-amine has a molecular weight of 180.25 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2H-pyridin-3-amine is sourced from PubChem (CID 19981942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).