2-[(4-methylpiperazin-1-yl)methoxy]ethanamine

C8H19N3O — CID 174243324

IUPAC2-[(4-methylpiperazin-1-yl)methoxy]ethanamine
SMILESCN1CCN(COCCN)CC1
InChIInChI=1S/C8H19N3O/c1-10-3-5-11(6-4-10)8-12-7-2-9/h2-9H2,1H3
InChIKeyQWOVYVCMORJUSS-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.83
Rot. Bonds4

About 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine

2-[(4-methylpiperazin-1-yl)methoxy]ethanamine (PubChem CID 174243324) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methoxy]ethanamine
PubChem CID174243324
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-[(4-methylpiperazin-1-yl)methoxy]ethanamine
SMILESCN1CCN(COCCN)CC1
InChIInChI=1S/C8H19N3O/c1-10-3-5-11(6-4-10)8-12-7-2-9/h2-9H2,1H3
InChIKeyQWOVYVCMORJUSS-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine (CID 174243324) is 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine is CN1CCN(COCCN)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine?
The InChIKey is QWOVYVCMORJUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-10-3-5-11(6-4-10)8-12-7-2-9/h2-9H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methoxy]ethanamine?
2-[(4-methylpiperazin-1-yl)methoxy]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-methylpiperazin-1-yl)methoxy]ethanamine is sourced from PubChem (CID 174243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).