2-[4-(methoxymethyl)piperazin-1-yl]ethanamine

C8H19N3O — CID 176691327

IUPAC2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
SMILESCOCN1CCN(CCN)CC1
InChIInChI=1S/C8H19N3O/c1-12-8-11-6-4-10(3-2-9)5-7-11/h2-9H2,1H3
InChIKeyGAJLZXNUZUHMMY-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.83
Rot. Bonds4

About 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine

2-[4-(methoxymethyl)piperazin-1-yl]ethanamine (PubChem CID 176691327) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
PubChem CID176691327
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[4-(methoxymethyl)piperazin-1-yl]ethanamine
SMILESCOCN1CCN(CCN)CC1
InChIInChI=1S/C8H19N3O/c1-12-8-11-6-4-10(3-2-9)5-7-11/h2-9H2,1H3
InChIKeyGAJLZXNUZUHMMY-UHFFFAOYSA-N
XLogP-0.83
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(methoxymethyl)piperazine
CID 15759078
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
CID 80698853
2-(aziridin-1-yl)ethanamine;dichloronickel
CID 15821369
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181
2-(4-iodopiperazin-1-yl)ethanamine
CID 89179522
[4-(2-methoxyethyl)piperazin-1-yl]methanamine
CID 146312052
2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
2-[4-(2-prop-1-en-2-yloxyethyl)piperazin-1-yl]ethanamine
CID 164877002
1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine
CID 45117280
4-(methoxymethyl)piperazine-1-carbaldehyde
CID 89339450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine (CID 176691327) is 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine is COCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine?
The InChIKey is GAJLZXNUZUHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-12-8-11-6-4-10(3-2-9)5-7-11/h2-9H2,1H3.
What are the key properties of 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine?
2-[4-(methoxymethyl)piperazin-1-yl]ethanamine has a molecular weight of 173.26 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 176691327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).