1-ethyl-1-prop-2-enylpiperidin-1-ium

C10H20N+ — CID 14615527

IUPAC1-ethyl-1-prop-2-enylpiperidin-1-ium
SMILESC=CC[N+]1(CC)CCCCC1
InChIInChI=1S/C10H20N/c1-3-8-11(4-2)9-6-5-7-10-11/h3H,1,4-10H2,2H3/q+1
InChIKeyJVZVSFHARYDVOB-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.19
Rot. Bonds3

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

1-ethyl-1-prop-2-enylpiperidin-1-ium (PubChem CID 14615527) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is 1-ethyl-1-prop-2-enylpiperidin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-prop-2-enylpiperidin-1-ium
PubChem CID14615527
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Name1-ethyl-1-prop-2-enylpiperidin-1-ium
SMILESC=CC[N+]1(CC)CCCCC1
InChIInChI=1S/C10H20N/c1-3-8-11(4-2)9-6-5-7-10-11/h3H,1,4-10H2,2H3/q+1
InChIKeyJVZVSFHARYDVOB-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.19
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-ethyl-1-prop-2-enylpiperidin-1-ium?
The IUPAC name of 1-ethyl-1-prop-2-enylpiperidin-1-ium (CID 14615527) is 1-ethyl-1-prop-2-enylpiperidin-1-ium.
What is the SMILES notation for 1-ethyl-1-prop-2-enylpiperidin-1-ium?
The canonical SMILES for 1-ethyl-1-prop-2-enylpiperidin-1-ium is C=CC[N+]1(CC)CCCCC1.
What is the InChIKey of 1-ethyl-1-prop-2-enylpiperidin-1-ium?
The InChIKey is JVZVSFHARYDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-3-8-11(4-2)9-6-5-7-10-11/h3H,1,4-10H2,2H3/q+1.
What are the key properties of 1-ethyl-1-prop-2-enylpiperidin-1-ium?
1-ethyl-1-prop-2-enylpiperidin-1-ium has a molecular weight of 154.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-prop-2-enylpiperidin-1-ium is sourced from PubChem (CID 14615527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).