1-(3-methoxypropyl)-2-methylpiperazine

C9H20N2O — CID 62674205

IUPAC1-(3-methoxypropyl)-2-methylpiperazine
SMILESCOCCCN1CCNCC1C
InChIInChI=1S/C9H20N2O/c1-9-8-10-4-6-11(9)5-3-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyBZJXMXBJBWFCST-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

About 1-(3-methoxypropyl)-2-methylpiperazine

1-(3-methoxypropyl)-2-methylpiperazine (PubChem CID 62674205) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methylpiperazine
PubChem CID62674205
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(3-methoxypropyl)-2-methylpiperazine
SMILESCOCCCN1CCNCC1C
InChIInChI=1S/C9H20N2O/c1-9-8-10-4-6-11(9)5-3-7-12-2/h9-10H,3-8H2,1-2H3
InChIKeyBZJXMXBJBWFCST-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(3-methoxypropyl)-2-methylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-2-methylpiperazine (CID 62674205) is 1-(3-methoxypropyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-2-methylpiperazine is COCCCN1CCNCC1C.
What is the InChIKey of 1-(3-methoxypropyl)-2-methylpiperazine?
The InChIKey is BZJXMXBJBWFCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9-8-10-4-6-11(9)5-3-7-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-2-methylpiperazine?
1-(3-methoxypropyl)-2-methylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methylpiperazine is sourced from PubChem (CID 62674205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).