4-(2-methoxyethyl)piperazin-1-amine

C7H17N3O — CID 68553076

IUPAC4-(2-methoxyethyl)piperazin-1-amine
SMILESCOCCN1CCN(N)CC1
InChIInChI=1S/C7H17N3O/c1-11-7-6-9-2-4-10(8)5-3-9/h2-8H2,1H3
InChIKeyJVYILDCIKUWNTI-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.88
Rot. Bonds3

About 4-(2-methoxyethyl)piperazin-1-amine

4-(2-methoxyethyl)piperazin-1-amine (PubChem CID 68553076) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-methoxyethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethyl)piperazin-1-amine
PubChem CID68553076
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name4-(2-methoxyethyl)piperazin-1-amine
SMILESCOCCN1CCN(N)CC1
InChIInChI=1S/C7H17N3O/c1-11-7-6-9-2-4-10(8)5-3-9/h2-8H2,1H3
InChIKeyJVYILDCIKUWNTI-UHFFFAOYSA-N
XLogP-0.88
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)piperazin-1-amine?
The IUPAC name of 4-(2-methoxyethyl)piperazin-1-amine (CID 68553076) is 4-(2-methoxyethyl)piperazin-1-amine.
What is the SMILES notation for 4-(2-methoxyethyl)piperazin-1-amine?
The canonical SMILES for 4-(2-methoxyethyl)piperazin-1-amine is COCCN1CCN(N)CC1.
What is the InChIKey of 4-(2-methoxyethyl)piperazin-1-amine?
The InChIKey is JVYILDCIKUWNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-11-7-6-9-2-4-10(8)5-3-9/h2-8H2,1H3.
What are the key properties of 4-(2-methoxyethyl)piperazin-1-amine?
4-(2-methoxyethyl)piperazin-1-amine has a molecular weight of 159.23 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)piperazin-1-amine is sourced from PubChem (CID 68553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).