(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine

C9H15N3 — CID 165119676

IUPAC(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCCCC1
InChIInChI=1S/C9H15N3/c10-6-4-5-9(11)12-7-2-1-3-8-12/h4-6,10-11H,1-3,7-8H2/b5-4-,10-6+,11-9+
InChIKeyZBBJTNAKRZKMAE-CFNRCDTOSA-N
MW165.24 g/mol
LogP1.66
Rot. Bonds2

About (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine

(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine (PubChem CID 165119676) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine
PubChem CID165119676
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCCCC1
InChIInChI=1S/C9H15N3/c10-6-4-5-9(11)12-7-2-1-3-8-12/h4-6,10-11H,1-3,7-8H2/b5-4-,10-6+,11-9+
InChIKeyZBBJTNAKRZKMAE-CFNRCDTOSA-N
XLogP1.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine (CID 165119676) is (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine is [H]/N=C/C=C\C(=N/[H])N1CCCCC1.
What is the InChIKey of (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine?
The InChIKey is ZBBJTNAKRZKMAE-CFNRCDTOSA-N. The full InChI is InChI=1S/C9H15N3/c10-6-4-5-9(11)12-7-2-1-3-8-12/h4-6,10-11H,1-3,7-8H2/b5-4-,10-6+,11-9+.
What are the key properties of (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine?
(Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine has a molecular weight of 165.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-piperidin-1-ylbut-2-ene-1,4-diimine is sourced from PubChem (CID 165119676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).