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

C9H15N3 — CID 18955953

IUPAC1-(2H-pyridin-1-yl)piperazine
SMILESC1=CCN(N2CCNCC2)C=C1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-10-5-9-12/h1-3,6,10H,4-5,7-9H2
InChIKeyLVUVECUITLVZMV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.19
Rot. Bonds1

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

1-(2H-pyridin-1-yl)piperazine (PubChem CID 18955953) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(2H-pyridin-1-yl)piperazine.

Molecular Properties

Compound Name1-(2H-pyridin-1-yl)piperazine
PubChem CID18955953
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(2H-pyridin-1-yl)piperazine
SMILESC1=CCN(N2CCNCC2)C=C1
InChIInChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-10-5-9-12/h1-3,6,10H,4-5,7-9H2
InChIKeyLVUVECUITLVZMV-UHFFFAOYSA-N
XLogP0.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-pyridin-1-yl)piperazine?
The IUPAC name of 1-(2H-pyridin-1-yl)piperazine (CID 18955953) is 1-(2H-pyridin-1-yl)piperazine.
What is the SMILES notation for 1-(2H-pyridin-1-yl)piperazine?
The canonical SMILES for 1-(2H-pyridin-1-yl)piperazine is C1=CCN(N2CCNCC2)C=C1.
What is the InChIKey of 1-(2H-pyridin-1-yl)piperazine?
The InChIKey is LVUVECUITLVZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-6-11(7-3-1)12-8-4-10-5-9-12/h1-3,6,10H,4-5,7-9H2.
What are the key properties of 1-(2H-pyridin-1-yl)piperazine?
1-(2H-pyridin-1-yl)piperazine has a molecular weight of 165.24 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-pyridin-1-yl)piperazine is sourced from PubChem (CID 18955953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).