1-piperidin-2-ylbut-3-en-1-ol

C9H17NO — CID 70541220

IUPAC1-piperidin-2-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCCN1
InChIInChI=1S/C9H17NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2,8-11H,1,3-7H2
InChIKeyVBEUIRGELGXUMR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 1-piperidin-2-ylbut-3-en-1-ol

1-piperidin-2-ylbut-3-en-1-ol (PubChem CID 70541220) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-piperidin-2-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-piperidin-2-ylbut-3-en-1-ol
PubChem CID70541220
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-piperidin-2-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CCCCN1
InChIInChI=1S/C9H17NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2,8-11H,1,3-7H2
InChIKeyVBEUIRGELGXUMR-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-piperidin-2-ylbut-3-en-1-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 1-piperidin-2-ylbut-3-en-1-ol?
The IUPAC name of 1-piperidin-2-ylbut-3-en-1-ol (CID 70541220) is 1-piperidin-2-ylbut-3-en-1-ol.
What is the SMILES notation for 1-piperidin-2-ylbut-3-en-1-ol?
The canonical SMILES for 1-piperidin-2-ylbut-3-en-1-ol is C=CCC(O)C1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylbut-3-en-1-ol?
The InChIKey is VBEUIRGELGXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-9(11)8-6-3-4-7-10-8/h2,8-11H,1,3-7H2.
What are the key properties of 1-piperidin-2-ylbut-3-en-1-ol?
1-piperidin-2-ylbut-3-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylbut-3-en-1-ol is sourced from PubChem (CID 70541220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).