1-[(Z)-3-methoxybut-2-enyl]piperazine

C9H18N2O — CID 166729699

IUPAC1-[(Z)-3-methoxybut-2-enyl]piperazine
SMILESCO/C(C)=C\CN1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(12-2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3/b9-3-
InChIKeyVSAVOHBARJRWQH-OQFOIZHKSA-N
MW170.26 g/mol
LogP0.44
Rot. Bonds3

About 1-[(Z)-3-methoxybut-2-enyl]piperazine

1-[(Z)-3-methoxybut-2-enyl]piperazine (PubChem CID 166729699) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(Z)-3-methoxybut-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-3-methoxybut-2-enyl]piperazine
PubChem CID166729699
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(Z)-3-methoxybut-2-enyl]piperazine
SMILESCO/C(C)=C\CN1CCNCC1
InChIInChI=1S/C9H18N2O/c1-9(12-2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3/b9-3-
InChIKeyVSAVOHBARJRWQH-OQFOIZHKSA-N
XLogP0.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.44
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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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-methoxybut-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-3-methoxybut-2-enyl]piperazine (CID 166729699) is 1-[(Z)-3-methoxybut-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-3-methoxybut-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-3-methoxybut-2-enyl]piperazine is CO/C(C)=C\CN1CCNCC1.
What is the InChIKey of 1-[(Z)-3-methoxybut-2-enyl]piperazine?
The InChIKey is VSAVOHBARJRWQH-OQFOIZHKSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(12-2)3-6-11-7-4-10-5-8-11/h3,10H,4-8H2,1-2H3/b9-3-.
What are the key properties of 1-[(Z)-3-methoxybut-2-enyl]piperazine?
1-[(Z)-3-methoxybut-2-enyl]piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-methoxybut-2-enyl]piperazine is sourced from PubChem (CID 166729699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).