1-prop-2-enylpiperidin-1-ium

C8H16N+ — CID 7018872

IUPAC1-prop-2-enylpiperidin-1-ium
SMILESC=CC[NH+]1CCCCC1
InChIInChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/p+1
InChIKeyKYGMSGYKSGNPHM-UHFFFAOYSA-O
MW126.22 g/mol
LogP0.24
Rot. Bonds2

About 1-prop-2-enylpiperidin-1-ium

1-prop-2-enylpiperidin-1-ium (PubChem CID 7018872) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 1-prop-2-enylpiperidin-1-ium.

Molecular Properties

Compound Name1-prop-2-enylpiperidin-1-ium
PubChem CID7018872
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name1-prop-2-enylpiperidin-1-ium
SMILESC=CC[NH+]1CCCCC1
InChIInChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/p+1
InChIKeyKYGMSGYKSGNPHM-UHFFFAOYSA-O
XLogP0.24
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-prop-2-enylpiperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidin-1-ium?
The IUPAC name of 1-prop-2-enylpiperidin-1-ium (CID 7018872) is 1-prop-2-enylpiperidin-1-ium.
What is the SMILES notation for 1-prop-2-enylpiperidin-1-ium?
The canonical SMILES for 1-prop-2-enylpiperidin-1-ium is C=CC[NH+]1CCCCC1.
What is the InChIKey of 1-prop-2-enylpiperidin-1-ium?
The InChIKey is KYGMSGYKSGNPHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2/p+1.
What are the key properties of 1-prop-2-enylpiperidin-1-ium?
1-prop-2-enylpiperidin-1-ium has a molecular weight of 126.22 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidin-1-ium is sourced from PubChem (CID 7018872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).