triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium

C15H32N2+2 — CID 7040368

IUPACtriethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium
SMILESCC[N+](CC)(CC)C/C=C/C[NH+]1CCCCC1
InChIInChI=1S/C15H31N2/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h10-11H,4-9,12-15H2,1-3H3/q+1/p+1/b11-10+
InChIKeyFHNOOJCTTUBGEG-ZHACJKMWSA-O
MW240.43 g/mol
LogP1.49
Rot. Bonds7

About triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium

triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium (PubChem CID 7040368) has the molecular formula C15H32N2+2 and a molecular weight of 240.43 g/mol. Its IUPAC name is triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium.

Molecular Properties

Compound Nametriethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium
PubChem CID7040368
Molecular FormulaC15H32N2+2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Nametriethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium
SMILESCC[N+](CC)(CC)C/C=C/C[NH+]1CCCCC1
InChIInChI=1S/C15H31N2/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h10-11H,4-9,12-15H2,1-3H3/q+1/p+1/b11-10+
InChIKeyFHNOOJCTTUBGEG-ZHACJKMWSA-O
XLogP1.49
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium?
The IUPAC name of triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium (CID 7040368) is triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium.
What is the SMILES notation for triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium?
The canonical SMILES for triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium is CC[N+](CC)(CC)C/C=C/C[NH+]1CCCCC1.
What is the InChIKey of triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium?
The InChIKey is FHNOOJCTTUBGEG-ZHACJKMWSA-O. The full InChI is InChI=1S/C15H31N2/c1-4-17(5-2,6-3)15-11-10-14-16-12-8-7-9-13-16/h10-11H,4-9,12-15H2,1-3H3/q+1/p+1/b11-10+.
What are the key properties of triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium?
triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium has a molecular weight of 240.43 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-4-piperidin-1-ium-1-ylbut-2-enyl]azanium is sourced from PubChem (CID 7040368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).