1-(3-methoxybut-2-en-2-yl)piperazine

C9H18N2O — CID 123780850

IUPAC1-(3-methoxybut-2-en-2-yl)piperazine
SMILESCOC(C)=C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-8(9(2)12-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyWWWDDCDJAGUPCV-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds2

About 1-(3-methoxybut-2-en-2-yl)piperazine

1-(3-methoxybut-2-en-2-yl)piperazine (PubChem CID 123780850) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-methoxybut-2-en-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-methoxybut-2-en-2-yl)piperazine
PubChem CID123780850
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-methoxybut-2-en-2-yl)piperazine
SMILESCOC(C)=C(C)N1CCNCC1
InChIInChI=1S/C9H18N2O/c1-8(9(2)12-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
InChIKeyWWWDDCDJAGUPCV-UHFFFAOYSA-N
XLogP0.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
1-[(Z)-3-methoxybut-2-en-2-yl]piperazine
CID 142005792
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybut-2-en-2-yl)piperazine?
The IUPAC name of 1-(3-methoxybut-2-en-2-yl)piperazine (CID 123780850) is 1-(3-methoxybut-2-en-2-yl)piperazine.
What is the SMILES notation for 1-(3-methoxybut-2-en-2-yl)piperazine?
The canonical SMILES for 1-(3-methoxybut-2-en-2-yl)piperazine is COC(C)=C(C)N1CCNCC1.
What is the InChIKey of 1-(3-methoxybut-2-en-2-yl)piperazine?
The InChIKey is WWWDDCDJAGUPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(9(2)12-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3.
What are the key properties of 1-(3-methoxybut-2-en-2-yl)piperazine?
1-(3-methoxybut-2-en-2-yl)piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybut-2-en-2-yl)piperazine is sourced from PubChem (CID 123780850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).