1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride

C13H23Cl2N3 — CID 3078155

IUPAC1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride
SMILESCC(C)(C)c1cccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3.2ClH/c1-13(2,3)11-5-4-6-12(15-11)16-9-7-14-8-10-16;;/h4-6,14H,7-10H2,1-3H3;2*1H
InChIKeyWDXHOSVCIZZLLY-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.63
Rot. Bonds1

About 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride

1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride (PubChem CID 3078155) has the molecular formula C13H23Cl2N3 and a molecular weight of 292.25 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride
PubChem CID3078155
Molecular FormulaC13H23Cl2N3
Molecular Weight292.25 g/mol
Exact Mass291.13
IUPAC Name1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride
SMILESCC(C)(C)c1cccc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3.2ClH/c1-13(2,3)11-5-4-6-12(15-11)16-9-7-14-8-10-16;;/h4-6,14H,7-10H2,1-3H3;2*1H
InChIKeyWDXHOSVCIZZLLY-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride?
The IUPAC name of 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride (CID 3078155) is 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride is CC(C)(C)c1cccc(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride?
The InChIKey is WDXHOSVCIZZLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.2ClH/c1-13(2,3)11-5-4-6-12(15-11)16-9-7-14-8-10-16;;/h4-6,14H,7-10H2,1-3H3;2*1H.
What are the key properties of 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride?
1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride has a molecular weight of 292.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-pyridinyl)piperazine;dihydrochloride is sourced from PubChem (CID 3078155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).