4-(3-methoxypropyl)piperazin-1-amine

C8H19N3O — CID 158082524

IUPAC4-(3-methoxypropyl)piperazin-1-amine
SMILESCOCCCN1CCN(N)CC1
InChIInChI=1S/C8H19N3O/c1-12-8-2-3-10-4-6-11(9)7-5-10/h2-9H2,1H3
InChIKeyGJLQZXVQHPPJDR-UHFFFAOYSA-N
MW173.26 g/mol
LogP-0.49
Rot. Bonds4

About 4-(3-methoxypropyl)piperazin-1-amine

4-(3-methoxypropyl)piperazin-1-amine (PubChem CID 158082524) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(3-methoxypropyl)piperazin-1-amine.

Molecular Properties

Compound Name4-(3-methoxypropyl)piperazin-1-amine
PubChem CID158082524
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name4-(3-methoxypropyl)piperazin-1-amine
SMILESCOCCCN1CCN(N)CC1
InChIInChI=1S/C8H19N3O/c1-12-8-2-3-10-4-6-11(9)7-5-10/h2-9H2,1H3
InChIKeyGJLQZXVQHPPJDR-UHFFFAOYSA-N
XLogP-0.49
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 ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)piperazin-1-amine?
The IUPAC name of 4-(3-methoxypropyl)piperazin-1-amine (CID 158082524) is 4-(3-methoxypropyl)piperazin-1-amine.
What is the SMILES notation for 4-(3-methoxypropyl)piperazin-1-amine?
The canonical SMILES for 4-(3-methoxypropyl)piperazin-1-amine is COCCCN1CCN(N)CC1.
What is the InChIKey of 4-(3-methoxypropyl)piperazin-1-amine?
The InChIKey is GJLQZXVQHPPJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-12-8-2-3-10-4-6-11(9)7-5-10/h2-9H2,1H3.
What are the key properties of 4-(3-methoxypropyl)piperazin-1-amine?
4-(3-methoxypropyl)piperazin-1-amine has a molecular weight of 173.26 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)piperazin-1-amine is sourced from PubChem (CID 158082524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).