1-(propoxymethyl)piperazine

C8H18N2O — CID 21422164

IUPAC1-(propoxymethyl)piperazine
SMILESCCCOCN1CCNCC1
InChIInChI=1S/C8H18N2O/c1-2-7-11-8-10-5-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyAPGSSPPPFKMTAI-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.28
Rot. Bonds4

About 1-(propoxymethyl)piperazine

1-(propoxymethyl)piperazine (PubChem CID 21422164) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(propoxymethyl)piperazine.

Molecular Properties

Compound Name1-(propoxymethyl)piperazine
PubChem CID21422164
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(propoxymethyl)piperazine
SMILESCCCOCN1CCNCC1
InChIInChI=1S/C8H18N2O/c1-2-7-11-8-10-5-3-9-4-6-10/h9H,2-8H2,1H3
InChIKeyAPGSSPPPFKMTAI-UHFFFAOYSA-N
XLogP0.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(propoxymethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(propoxymethyl)piperazine?
The IUPAC name of 1-(propoxymethyl)piperazine (CID 21422164) is 1-(propoxymethyl)piperazine.
What is the SMILES notation for 1-(propoxymethyl)piperazine?
The canonical SMILES for 1-(propoxymethyl)piperazine is CCCOCN1CCNCC1.
What is the InChIKey of 1-(propoxymethyl)piperazine?
The InChIKey is APGSSPPPFKMTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-7-11-8-10-5-3-9-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 1-(propoxymethyl)piperazine?
1-(propoxymethyl)piperazine has a molecular weight of 158.24 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propoxymethyl)piperazine is sourced from PubChem (CID 21422164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).