1-(1-methoxybutyl)piperazine

C9H20N2O — CID 70474988

IUPAC1-(1-methoxybutyl)piperazine
SMILESCCCC(OC)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-3-4-9(12-2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyKMGIZRGZSWKSGA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.66
Rot. Bonds4

About 1-(1-methoxybutyl)piperazine

1-(1-methoxybutyl)piperazine (PubChem CID 70474988) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-methoxybutyl)piperazine.

Molecular Properties

Compound Name1-(1-methoxybutyl)piperazine
PubChem CID70474988
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-methoxybutyl)piperazine
SMILESCCCC(OC)N1CCNCC1
InChIInChI=1S/C9H20N2O/c1-3-4-9(12-2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3
InChIKeyKMGIZRGZSWKSGA-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybutyl)piperazine?
The IUPAC name of 1-(1-methoxybutyl)piperazine (CID 70474988) is 1-(1-methoxybutyl)piperazine.
What is the SMILES notation for 1-(1-methoxybutyl)piperazine?
The canonical SMILES for 1-(1-methoxybutyl)piperazine is CCCC(OC)N1CCNCC1.
What is the InChIKey of 1-(1-methoxybutyl)piperazine?
The InChIKey is KMGIZRGZSWKSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-4-9(12-2)11-7-5-10-6-8-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(1-methoxybutyl)piperazine?
1-(1-methoxybutyl)piperazine has a molecular weight of 172.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybutyl)piperazine is sourced from PubChem (CID 70474988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).