1-pyridin-2-ylpiperazine;dihydrochloride

C9H15Cl2N3 — CID 3040476

IUPAC1-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-2-4-11-9(3-1)12-7-5-10-6-8-12;;/h1-4,10H,5-8H2;2*1H
InChIKeySLVHMMBZOHKYBM-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.33
Rot. Bonds1

About 1-pyridin-2-ylpiperazine;dihydrochloride

1-pyridin-2-ylpiperazine;dihydrochloride (PubChem CID 3040476) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-pyridin-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-2-ylpiperazine;dihydrochloride
PubChem CID3040476
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.c1ccc(N2CCNCC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-2-4-11-9(3-1)12-7-5-10-6-8-12;;/h1-4,10H,5-8H2;2*1H
InChIKeySLVHMMBZOHKYBM-UHFFFAOYSA-N
XLogP1.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylpiperazine;dihydrochloride?
The IUPAC name of 1-pyridin-2-ylpiperazine;dihydrochloride (CID 3040476) is 1-pyridin-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-pyridin-2-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-pyridin-2-ylpiperazine;dihydrochloride is Cl.Cl.c1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-pyridin-2-ylpiperazine;dihydrochloride?
The InChIKey is SLVHMMBZOHKYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-2-4-11-9(3-1)12-7-5-10-6-8-12;;/h1-4,10H,5-8H2;2*1H.
What are the key properties of 1-pyridin-2-ylpiperazine;dihydrochloride?
1-pyridin-2-ylpiperazine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 3040476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).