[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene

C12H21N3 — CID 134406152

IUPAC[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene
SMILESC=C(/N=N/C/C(C)=C\C)C1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-10(2)9-14-15-11(3)12-5-7-13-8-6-12/h4,12-13H,3,5-9H2,1-2H3/b10-4-,15-14+
InChIKeyZTYCNEJEYIUKCV-CBADJWCXSA-N
MW207.32 g/mol
LogP2.92
Rot. Bonds4

About [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene

[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene (PubChem CID 134406152) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene.

Molecular Properties

Compound Name[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene
PubChem CID134406152
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene
SMILESC=C(/N=N/C/C(C)=C\C)C1CCNCC1
InChIInChI=1S/C12H21N3/c1-4-10(2)9-14-15-11(3)12-5-7-13-8-6-12/h4,12-13H,3,5-9H2,1-2H3/b10-4-,15-14+
InChIKeyZTYCNEJEYIUKCV-CBADJWCXSA-N
XLogP2.92
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene?
The IUPAC name of [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene (CID 134406152) is [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene.
What is the SMILES notation for [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene?
The canonical SMILES for [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene is C=C(/N=N/C/C(C)=C\C)C1CCNCC1.
What is the InChIKey of [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene?
The InChIKey is ZTYCNEJEYIUKCV-CBADJWCXSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-10(2)9-14-15-11(3)12-5-7-13-8-6-12/h4,12-13H,3,5-9H2,1-2H3/b10-4-,15-14+.
What are the key properties of [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene?
[(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene has a molecular weight of 207.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylbut-2-enyl]-(1-piperidin-4-ylethenyl)diazene is sourced from PubChem (CID 134406152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).