1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride

C11H19Cl2N3 — CID 154825577

IUPAC1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride
SMILESCc1cc(N2CCNCC2)cc(C)n1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14;;/h7-8,12H,3-6H2,1-2H3;2*1H
InChIKeyBYSOOQRKUISVBI-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.95
Rot. Bonds1

About 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride

1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride (PubChem CID 154825577) has the molecular formula C11H19Cl2N3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride
PubChem CID154825577
Molecular FormulaC11H19Cl2N3
Molecular Weight264.20 g/mol
Exact Mass263.10
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride
SMILESCc1cc(N2CCNCC2)cc(C)n1.Cl.Cl
InChIInChI=1S/C11H17N3.2ClH/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14;;/h7-8,12H,3-6H2,1-2H3;2*1H
InChIKeyBYSOOQRKUISVBI-UHFFFAOYSA-N
XLogP1.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride (CID 154825577) is 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride is Cc1cc(N2CCNCC2)cc(C)n1.Cl.Cl.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride?
The InChIKey is BYSOOQRKUISVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.2ClH/c1-9-7-11(8-10(2)13-9)14-5-3-12-4-6-14;;/h7-8,12H,3-6H2,1-2H3;2*1H.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride?
1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride has a molecular weight of 264.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)piperazine;dihydrochloride is sourced from PubChem (CID 154825577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).