2-(2H-pyridin-1-yl)piperazine

C9H15N3 — CID 56620287

IUPAC2-(2H-pyridin-1-yl)piperazine
SMILESC1=CCN(C2CNCCN2)C=C1
InChIInChI=1S/C9H15N3/c1-2-6-12(7-3-1)9-8-10-4-5-11-9/h1-3,6,9-11H,4-5,7-8H2
InChIKeyGHDAVRMGQBDXSW-UHFFFAOYSA-N
MW165.24 g/mol
LogP-0.11
Rot. Bonds1

About 2-(2H-pyridin-1-yl)piperazine

2-(2H-pyridin-1-yl)piperazine (PubChem CID 56620287) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(2H-pyridin-1-yl)piperazine.

Molecular Properties

Compound Name2-(2H-pyridin-1-yl)piperazine
PubChem CID56620287
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-(2H-pyridin-1-yl)piperazine
SMILESC1=CCN(C2CNCCN2)C=C1
InChIInChI=1S/C9H15N3/c1-2-6-12(7-3-1)9-8-10-4-5-11-9/h1-3,6,9-11H,4-5,7-8H2
InChIKeyGHDAVRMGQBDXSW-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-pyridin-1-yl)piperazine?
The IUPAC name of 2-(2H-pyridin-1-yl)piperazine (CID 56620287) is 2-(2H-pyridin-1-yl)piperazine.
What is the SMILES notation for 2-(2H-pyridin-1-yl)piperazine?
The canonical SMILES for 2-(2H-pyridin-1-yl)piperazine is C1=CCN(C2CNCCN2)C=C1.
What is the InChIKey of 2-(2H-pyridin-1-yl)piperazine?
The InChIKey is GHDAVRMGQBDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-6-12(7-3-1)9-8-10-4-5-11-9/h1-3,6,9-11H,4-5,7-8H2.
What are the key properties of 2-(2H-pyridin-1-yl)piperazine?
2-(2H-pyridin-1-yl)piperazine has a molecular weight of 165.24 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pyridin-1-yl)piperazine is sourced from PubChem (CID 56620287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).