1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium

C15H28N+ — CID 174233536

IUPAC1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium
SMILESCC[N+]1(C2CCC=CCCC2)CCCCC1
InChIInChI=1S/C15H28N/c1-2-16(13-9-6-10-14-16)15-11-7-4-3-5-8-12-15/h3-4,15H,2,5-14H2,1H3/q+1
InChIKeyBGKZISXZKVPVGR-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.90
Rot. Bonds2

About 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium

1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium (PubChem CID 174233536) has the molecular formula C15H28N+ and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium.

Molecular Properties

Compound Name1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium
PubChem CID174233536
Molecular FormulaC15H28N+
Molecular Weight222.40 g/mol
Exact Mass222.22
IUPAC Name1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium
SMILESCC[N+]1(C2CCC=CCCC2)CCCCC1
InChIInChI=1S/C15H28N/c1-2-16(13-9-6-10-14-16)15-11-7-4-3-5-8-12-15/h3-4,15H,2,5-14H2,1H3/q+1
InChIKeyBGKZISXZKVPVGR-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
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 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium?
The IUPAC name of 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium (CID 174233536) is 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium.
What is the SMILES notation for 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium?
The canonical SMILES for 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium is CC[N+]1(C2CCC=CCCC2)CCCCC1.
What is the InChIKey of 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium?
The InChIKey is BGKZISXZKVPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N/c1-2-16(13-9-6-10-14-16)15-11-7-4-3-5-8-12-15/h3-4,15H,2,5-14H2,1H3/q+1.
What are the key properties of 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium?
1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium has a molecular weight of 222.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooct-4-en-1-yl-1-ethylpiperidin-1-ium is sourced from PubChem (CID 174233536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).