1-[(Z)-3-methoxybut-2-en-2-yl]piperazine

C9H18N2O — CID 142005792

IUPAC1-[(Z)-3-methoxybut-2-en-2-yl]piperazine
SMILESCO/C(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/b9-8-
InChIKeyWWWDDCDJAGUPCV-HJWRWDBZSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds2

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

1-[(Z)-3-methoxybut-2-en-2-yl]piperazine (PubChem CID 142005792) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(Z)-3-methoxybut-2-en-2-yl]piperazine
PubChem CID142005792
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(Z)-3-methoxybut-2-en-2-yl]piperazine
SMILESCO/C(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/b9-8-
InChIKeyWWWDDCDJAGUPCV-HJWRWDBZSA-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-(3-Methoxybut-2-en-2-yl)piperazine
CID 123780850
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine?
The IUPAC name of 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine (CID 142005792) is 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine.
What is the SMILES notation for 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine?
The canonical SMILES for 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine is CO/C(C)=C(/C)N1CCNCC1.
What is the InChIKey of 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine?
The InChIKey is WWWDDCDJAGUPCV-HJWRWDBZSA-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/b9-8-.
What are the key properties of 1-[(Z)-3-methoxybut-2-en-2-yl]piperazine?
1-[(Z)-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-[(Z)-3-methoxybut-2-en-2-yl]piperazine is sourced from PubChem (CID 142005792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).