2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine

C14H24N4 — CID 80634567

IUPAC2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
SMILESCCN1CCN(c2ccc(CCN)cn2)CC1C
InChIInChI=1S/C14H24N4/c1-3-17-8-9-18(11-12(17)2)14-5-4-13(6-7-15)10-16-14/h4-5,10,12H,3,6-9,11,15H2,1-2H3
InChIKeyJIZOAAUCQITIIZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.11
Rot. Bonds4

About 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine

2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine (PubChem CID 80634567) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
PubChem CID80634567
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine
SMILESCCN1CCN(c2ccc(CCN)cn2)CC1C
InChIInChI=1S/C14H24N4/c1-3-17-8-9-18(11-12(17)2)14-5-4-13(6-7-15)10-16-14/h4-5,10,12H,3,6-9,11,15H2,1-2H3
InChIKeyJIZOAAUCQITIIZ-UHFFFAOYSA-N
XLogP1.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine (CID 80634567) is 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine is CCN1CCN(c2ccc(CCN)cn2)CC1C.
What is the InChIKey of 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine?
The InChIKey is JIZOAAUCQITIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-17-8-9-18(11-12(17)2)14-5-4-13(6-7-15)10-16-14/h4-5,10,12H,3,6-9,11,15H2,1-2H3.
What are the key properties of 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine?
2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 80634567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).