1,1-bis(but-1-enyl)piperidin-1-ium

C13H24N+ — CID 123773033

IUPAC1,1-bis(but-1-enyl)piperidin-1-ium
SMILESCCC=C[N+]1(C=CCC)CCCCC1
InChIInChI=1S/C13H24N/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3/q+1
InChIKeyBQSBGILAKGQOOH-UHFFFAOYSA-N
MW194.34 g/mol
LogP3.83
Rot. Bonds4

About 1,1-bis(but-1-enyl)piperidin-1-ium

1,1-bis(but-1-enyl)piperidin-1-ium (PubChem CID 123773033) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is 1,1-bis(but-1-enyl)piperidin-1-ium.

Molecular Properties

Compound Name1,1-bis(but-1-enyl)piperidin-1-ium
PubChem CID123773033
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name1,1-bis(but-1-enyl)piperidin-1-ium
SMILESCCC=C[N+]1(C=CCC)CCCCC1
InChIInChI=1S/C13H24N/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3/q+1
InChIKeyBQSBGILAKGQOOH-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-bis(pent-2-enyl)silinane
CID 67255329
1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
1-ethyl-1-methylpyrrolidin-1-ium fluoride
CID 67241835
cyclobutane;propanal
CID 174643363
2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
[(E)-but-1-enyl]cyclodecane
CID 173272598
1-prop-2-enyl-1-propylpiperidin-1-ium
CID 68590517
1-ethyl-1-methylazepan-1-ium iodide
CID 134896508
1,1-diethylpiperidin-1-ium;methane;iodide
CID 158053029
1-butyl-1-[(E)-prop-1-enyl]piperidin-1-ium
CID 173474609

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(but-1-enyl)piperidin-1-ium?
The IUPAC name of 1,1-bis(but-1-enyl)piperidin-1-ium (CID 123773033) is 1,1-bis(but-1-enyl)piperidin-1-ium.
What is the SMILES notation for 1,1-bis(but-1-enyl)piperidin-1-ium?
The canonical SMILES for 1,1-bis(but-1-enyl)piperidin-1-ium is CCC=C[N+]1(C=CCC)CCCCC1.
What is the InChIKey of 1,1-bis(but-1-enyl)piperidin-1-ium?
The InChIKey is BQSBGILAKGQOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h5-6,10-11H,3-4,7-9,12-13H2,1-2H3/q+1.
What are the key properties of 1,1-bis(but-1-enyl)piperidin-1-ium?
1,1-bis(but-1-enyl)piperidin-1-ium has a molecular weight of 194.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(but-1-enyl)piperidin-1-ium is sourced from PubChem (CID 123773033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).