1-(butoxymethyl)piperazine

C9H20N2O — CID 154161534

IUPAC1-(butoxymethyl)piperazine
SMILESCCCCOCN1CCNCC1
InChIInChI=1S/C9H20N2O/c1-2-3-8-12-9-11-6-4-10-5-7-11/h10H,2-9H2,1H3
InChIKeyIBTPVTARCHOJSR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.67
Rot. Bonds5

About 1-(butoxymethyl)piperazine

1-(butoxymethyl)piperazine (PubChem CID 154161534) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(butoxymethyl)piperazine.

Molecular Properties

Compound Name1-(butoxymethyl)piperazine
PubChem CID154161534
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(butoxymethyl)piperazine
SMILESCCCCOCN1CCNCC1
InChIInChI=1S/C9H20N2O/c1-2-3-8-12-9-11-6-4-10-5-7-11/h10H,2-9H2,1H3
InChIKeyIBTPVTARCHOJSR-UHFFFAOYSA-N
XLogP0.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.67
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-(butoxymethyl)piperazine?
The IUPAC name of 1-(butoxymethyl)piperazine (CID 154161534) is 1-(butoxymethyl)piperazine.
What is the SMILES notation for 1-(butoxymethyl)piperazine?
The canonical SMILES for 1-(butoxymethyl)piperazine is CCCCOCN1CCNCC1.
What is the InChIKey of 1-(butoxymethyl)piperazine?
The InChIKey is IBTPVTARCHOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-3-8-12-9-11-6-4-10-5-7-11/h10H,2-9H2,1H3.
What are the key properties of 1-(butoxymethyl)piperazine?
1-(butoxymethyl)piperazine has a molecular weight of 172.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)piperazine is sourced from PubChem (CID 154161534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).