1-[(E)-but-2-enylidene]piperidin-1-ium

C9H16N+ — CID 101234497

IUPAC1-[(E)-but-2-enylidene]piperidin-1-ium
SMILESC/C=C/C=[N+]1CCCCC1
InChIInChI=1S/C9H16N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,4-6,8-9H2,1H3/q+1/b3-2+
InChIKeyRULPAFSOXUJPBF-NSCUHMNNSA-N
MW138.23 g/mol
LogP1.83
Rot. Bonds1

About 1-[(E)-but-2-enylidene]piperidin-1-ium

1-[(E)-but-2-enylidene]piperidin-1-ium (PubChem CID 101234497) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is 1-[(E)-but-2-enylidene]piperidin-1-ium.

Molecular Properties

Compound Name1-[(E)-but-2-enylidene]piperidin-1-ium
PubChem CID101234497
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Name1-[(E)-but-2-enylidene]piperidin-1-ium
SMILESC/C=C/C=[N+]1CCCCC1
InChIInChI=1S/C9H16N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,4-6,8-9H2,1H3/q+1/b3-2+
InChIKeyRULPAFSOXUJPBF-NSCUHMNNSA-N
XLogP1.83
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
CID 123932561
1-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104163
ethane;N-ethenylprop-2-en-1-imine;1-methylpiperidine
CID 169104168
1-(3-Methylbut-2-enylidene)piperidin-1-ium
CID 11805984
1-(Prop-2-en-1-ylidene)piperidin-1-ium
CID 71427214
1-[(E)-hex-2-enylidene]piperidin-1-ium
CID 101234498

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enylidene]piperidin-1-ium?
The IUPAC name of 1-[(E)-but-2-enylidene]piperidin-1-ium (CID 101234497) is 1-[(E)-but-2-enylidene]piperidin-1-ium.
What is the SMILES notation for 1-[(E)-but-2-enylidene]piperidin-1-ium?
The canonical SMILES for 1-[(E)-but-2-enylidene]piperidin-1-ium is C/C=C/C=[N+]1CCCCC1.
What is the InChIKey of 1-[(E)-but-2-enylidene]piperidin-1-ium?
The InChIKey is RULPAFSOXUJPBF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16N/c1-2-3-7-10-8-5-4-6-9-10/h2-3,7H,4-6,8-9H2,1H3/q+1/b3-2+.
What are the key properties of 1-[(E)-but-2-enylidene]piperidin-1-ium?
1-[(E)-but-2-enylidene]piperidin-1-ium has a molecular weight of 138.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enylidene]piperidin-1-ium is sourced from PubChem (CID 101234497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).