(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine

C11H18N2 — CID 144729142

IUPAC(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C1CCCNC1
InChIInChI=1S/C11H18N2/c1-3-10(8-12-4-2)11-6-5-7-13-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3/b10-3+,12-8+
InChIKeyKJMRSTMLUDDMKO-ZOJGAXEBSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds3

About (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine

(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine (PubChem CID 144729142) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine
PubChem CID144729142
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)C1CCCNC1
InChIInChI=1S/C11H18N2/c1-3-10(8-12-4-2)11-6-5-7-13-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3/b10-3+,12-8+
InChIKeyKJMRSTMLUDDMKO-ZOJGAXEBSA-N
XLogP2.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine (CID 144729142) is (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine is C=C/N=C/C(=C\C)C1CCCNC1.
What is the InChIKey of (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine?
The InChIKey is KJMRSTMLUDDMKO-ZOJGAXEBSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(8-12-4-2)11-6-5-7-13-9-11/h3-4,8,11,13H,2,5-7,9H2,1H3/b10-3+,12-8+.
What are the key properties of (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine?
(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine is sourced from PubChem (CID 144729142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).