2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

C14H24N4 — CID 55024068

IUPAC2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C14H24N4/c1-2-17-9-11-18(12-10-17)8-7-15-13-14-5-3-4-6-16-14/h3-6,15H,2,7-13H2,1H3
InChIKeyVMGXCMOINRHQOA-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.81
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine

2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 55024068) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID55024068
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCN1CCN(CCNCc2ccccn2)CC1
InChIInChI=1S/C14H24N4/c1-2-17-9-11-18(12-10-17)8-7-15-13-14-5-3-4-6-16-14/h3-6,15H,2,7-13H2,1H3
InChIKeyVMGXCMOINRHQOA-UHFFFAOYSA-N
XLogP0.81
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 172594232
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine
CID 62554392
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
ethane;2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)ethanamine;prop-1-ene
CID 172594231
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 83221804
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine (CID 55024068) is 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is CCN1CCN(CCNCc2ccccn2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is VMGXCMOINRHQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-17-9-11-18(12-10-17)8-7-15-13-14-5-3-4-6-16-14/h3-6,15H,2,7-13H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 55024068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).