ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene

C12H23N3 — CID 71156439

IUPACethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene
SMILESCC/N=N/C(=C(/C)CC)C1CCNCC1
InChIInChI=1S/C12H23N3/c1-4-10(3)12(15-14-5-2)11-6-8-13-9-7-11/h11,13H,4-9H2,1-3H3/b12-10-,15-14+
InChIKeyFRFUGQFHJRLGTI-OCSPJGFWSA-N
MW209.34 g/mol
LogP3.14
Rot. Bonds4

About ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene

ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene (PubChem CID 71156439) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene.

Molecular Properties

Compound Nameethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene
PubChem CID71156439
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene
SMILESCC/N=N/C(=C(/C)CC)C1CCNCC1
InChIInChI=1S/C12H23N3/c1-4-10(3)12(15-14-5-2)11-6-8-13-9-7-11/h11,13H,4-9H2,1-3H3/b12-10-,15-14+
InChIKeyFRFUGQFHJRLGTI-OCSPJGFWSA-N
XLogP3.14
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene?
The IUPAC name of ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene (CID 71156439) is ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene.
What is the SMILES notation for ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene?
The canonical SMILES for ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene is CC/N=N/C(=C(/C)CC)C1CCNCC1.
What is the InChIKey of ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene?
The InChIKey is FRFUGQFHJRLGTI-OCSPJGFWSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-10(3)12(15-14-5-2)11-6-8-13-9-7-11/h11,13H,4-9H2,1-3H3/b12-10-,15-14+.
What are the key properties of ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene?
ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene has a molecular weight of 209.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(Z)-2-methyl-1-piperidin-4-ylbut-1-enyl]diazene is sourced from PubChem (CID 71156439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).