2-pyridin-2-ylpiperazine;dihydrochloride

C9H15Cl2N3 — CID 21151674

IUPAC2-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(C2CNCCN2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-2-4-11-8(3-1)9-7-10-5-6-12-9;;/h1-4,9-10,12H,5-7H2;2*1H
InChIKeyVJJABUBRAPVOMT-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.16
Rot. Bonds1

About 2-pyridin-2-ylpiperazine;dihydrochloride

2-pyridin-2-ylpiperazine;dihydrochloride (PubChem CID 21151674) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-pyridin-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-2-ylpiperazine;dihydrochloride
PubChem CID21151674
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(C2CNCCN2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-2-4-11-8(3-1)9-7-10-5-6-12-9;;/h1-4,9-10,12H,5-7H2;2*1H
InChIKeyVJJABUBRAPVOMT-UHFFFAOYSA-N
XLogP1.16
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpiperazine;dihydrochloride?
The IUPAC name of 2-pyridin-2-ylpiperazine;dihydrochloride (CID 21151674) is 2-pyridin-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for 2-pyridin-2-ylpiperazine;dihydrochloride?
The canonical SMILES for 2-pyridin-2-ylpiperazine;dihydrochloride is Cl.Cl.c1ccc(C2CNCCN2)nc1.
What is the InChIKey of 2-pyridin-2-ylpiperazine;dihydrochloride?
The InChIKey is VJJABUBRAPVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-2-4-11-8(3-1)9-7-10-5-6-12-9;;/h1-4,9-10,12H,5-7H2;2*1H.
What are the key properties of 2-pyridin-2-ylpiperazine;dihydrochloride?
2-pyridin-2-ylpiperazine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 21151674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).