2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol

C10H20NO+ — CID 21152850

IUPAC2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol
SMILESC=CC[N+]1(CCO)CCCCC1
InChIInChI=1S/C10H20NO/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,12H,1,3-10H2/q+1
InChIKeyZJYAWXHMTRRYCU-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.17
Rot. Bonds4

About 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol

2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol (PubChem CID 21152850) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol.

Molecular Properties

Compound Name2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol
PubChem CID21152850
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol
SMILESC=CC[N+]1(CCO)CCCCC1
InChIInChI=1S/C10H20NO/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,12H,1,3-10H2/q+1
InChIKeyZJYAWXHMTRRYCU-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol?
The IUPAC name of 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol (CID 21152850) is 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol.
What is the SMILES notation for 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol?
The canonical SMILES for 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol is C=CC[N+]1(CCO)CCCCC1.
What is the InChIKey of 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol?
The InChIKey is ZJYAWXHMTRRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-2-6-11(9-10-12)7-4-3-5-8-11/h2,12H,1,3-10H2/q+1.
What are the key properties of 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol?
2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol has a molecular weight of 170.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylpiperidin-1-ium-1-yl)ethanol is sourced from PubChem (CID 21152850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).