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

C13H22ClN3 — CID 45259443

IUPAC1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride
SMILESCC(C)(C)c1cccc(N2CCNCC2)n1.Cl
InChIInChI=1S/C13H21N3.ClH/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;1H
InChIKeyBAUMSFRCLLCZQX-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.21
Rot. Bonds1

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

1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride (PubChem CID 45259443) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride
PubChem CID45259443
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride
SMILESCC(C)(C)c1cccc(N2CCNCC2)n1.Cl
InChIInChI=1S/C13H21N3.ClH/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;1H
InChIKeyBAUMSFRCLLCZQX-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.21
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;hydrochloride?
The IUPAC name of 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride (CID 45259443) is 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride is CC(C)(C)c1cccc(N2CCNCC2)n1.Cl.
What is the InChIKey of 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is BAUMSFRCLLCZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/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;1H.
What are the key properties of 1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride?
1-(6-tert-butyl-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.21, 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;hydrochloride is sourced from PubChem (CID 45259443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).