1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride

C12H20ClN3 — CID 67380857

IUPAC1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
SMILESCCc1cc(C)cnc1N1CCNCC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-3-11-8-10(2)9-14-12(11)15-6-4-13-5-7-15;/h8-9,13H,3-7H2,1-2H3;1H
InChIKeyJQGHLZQINDVGGB-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.78
Rot. Bonds2

About 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride

1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride (PubChem CID 67380857) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
PubChem CID67380857
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride
SMILESCCc1cc(C)cnc1N1CCNCC1.Cl
InChIInChI=1S/C12H19N3.ClH/c1-3-11-8-10(2)9-14-12(11)15-6-4-13-5-7-15;/h8-9,13H,3-7H2,1-2H3;1H
InChIKeyJQGHLZQINDVGGB-UHFFFAOYSA-N
XLogP1.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride (CID 67380857) is 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride is CCc1cc(C)cnc1N1CCNCC1.Cl.
What is the InChIKey of 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride?
The InChIKey is JQGHLZQINDVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3.ClH/c1-3-11-8-10(2)9-14-12(11)15-6-4-13-5-7-15;/h8-9,13H,3-7H2,1-2H3;1H.
What are the key properties of 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride?
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride has a molecular weight of 241.77 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-5-methyl-2-pyridinyl)piperazine;hydrochloride is sourced from PubChem (CID 67380857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).