2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol

C11H20NO+ — CID 7432218

IUPAC2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol
SMILESCC(C)(O)C#CC[NH+]1CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,13)7-6-10-12-8-4-3-5-9-12/h13H,3-5,8-10H2,1-2H3/p+1
InChIKeyLGXNYUNTAGQGIJ-UHFFFAOYSA-O
MW182.29 g/mol
LogP-0.17
Rot. Bonds1

About 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol

2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol (PubChem CID 7432218) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol
PubChem CID7432218
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol
SMILESCC(C)(O)C#CC[NH+]1CCCCC1
InChIInChI=1S/C11H19NO/c1-11(2,13)7-6-10-12-8-4-3-5-9-12/h13H,3-5,8-10H2,1-2H3/p+1
InChIKeyLGXNYUNTAGQGIJ-UHFFFAOYSA-O
XLogP-0.17
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol 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 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol?
The IUPAC name of 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol (CID 7432218) is 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol.
What is the SMILES notation for 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol?
The canonical SMILES for 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol is CC(C)(O)C#CC[NH+]1CCCCC1.
What is the InChIKey of 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol?
The InChIKey is LGXNYUNTAGQGIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19NO/c1-11(2,13)7-6-10-12-8-4-3-5-9-12/h13H,3-5,8-10H2,1-2H3/p+1.
What are the key properties of 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol?
2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol has a molecular weight of 182.29 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ium-1-ylpent-3-yn-2-ol is sourced from PubChem (CID 7432218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).