1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol

C11H22NO+ — CID 6946755

IUPAC1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
SMILESC=C(C)CC1(O)CC[NH+](CC)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h13H,2,4-9H2,1,3H3/p+1
InChIKeyOQBCHODYYJHQEC-UHFFFAOYSA-O
MW184.30 g/mol
LogP0.38
Rot. Bonds3

About 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol

1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol (PubChem CID 6946755) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
PubChem CID6946755
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol
SMILESC=C(C)CC1(O)CC[NH+](CC)CC1
InChIInChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h13H,2,4-9H2,1,3H3/p+1
InChIKeyOQBCHODYYJHQEC-UHFFFAOYSA-O
XLogP0.38
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The IUPAC name of 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol (CID 6946755) is 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol.
What is the SMILES notation for 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The canonical SMILES for 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol is C=C(C)CC1(O)CC[NH+](CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
The InChIKey is OQBCHODYYJHQEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21NO/c1-4-12-7-5-11(13,6-8-12)9-10(2)3/h13H,2,4-9H2,1,3H3/p+1.
What are the key properties of 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol?
1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol has a molecular weight of 184.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylprop-2-enyl)piperidin-1-ium-4-ol is sourced from PubChem (CID 6946755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).