[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

C13H22N4 — CID 106905629

IUPAC[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCN1CCN(Cc2cccc(CN)n2)CC1
InChIInChI=1S/C13H22N4/c1-2-16-6-8-17(9-7-16)11-13-5-3-4-12(10-14)15-13/h3-5H,2,6-11,14H2,1H3
InChIKeyAYQJLYPOVBKHEE-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.68
Rot. Bonds4

About [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine

[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 106905629) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID106905629
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCN1CCN(Cc2cccc(CN)n2)CC1
InChIInChI=1S/C13H22N4/c1-2-16-6-8-17(9-7-16)11-13-5-3-4-12(10-14)15-13/h3-5H,2,6-11,14H2,1H3
InChIKeyAYQJLYPOVBKHEE-UHFFFAOYSA-N
XLogP0.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(azetidin-1-ylmethyl)-2-pyridinyl]methanamine
CID 105437203
[6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-pyridinyl]methanamine
CID 106905922
1-[1-[[6-(aminomethyl)-2-pyridinyl]methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106906163
1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one
CID 163369559
[6-[(3,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907162
[6-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]methanamine
CID 106905543
[6-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106907312
[6-[(2,2-dimethylthiomorpholin-4-yl)methyl]-2-pyridinyl]methanamine
CID 106907183
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]piperazine;tetrahydrochloride
CID 18770451
4-[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]butan-1-amine
CID 79267762
[6-[[4,7-bis[[6-[hydroxy(methyl)phosphoryl]-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-2-pyridinyl]-methylphosphinic acid
CID 102293149

Frequently Asked Questions

What is the IUPAC name of [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine (CID 106905629) is [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is CCN1CCN(Cc2cccc(CN)n2)CC1.
What is the InChIKey of [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is AYQJLYPOVBKHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-16-6-8-17(9-7-16)11-13-5-3-4-12(10-14)15-13/h3-5H,2,6-11,14H2,1H3.
What are the key properties of [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine?
[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 106905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).