1-piperidin-4-yloxybut-3-en-2-one

C9H15NO2 — CID 116571049

IUPAC1-piperidin-4-yloxybut-3-en-2-one
SMILESC=CC(=O)COC1CCNCC1
InChIInChI=1S/C9H15NO2/c1-2-8(11)7-12-9-3-5-10-6-4-9/h2,9-10H,1,3-7H2
InChIKeyUJCXXHQVUBTEJU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.51
Rot. Bonds4

About 1-piperidin-4-yloxybut-3-en-2-one

1-piperidin-4-yloxybut-3-en-2-one (PubChem CID 116571049) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-piperidin-4-yloxybut-3-en-2-one.

Molecular Properties

Compound Name1-piperidin-4-yloxybut-3-en-2-one
PubChem CID116571049
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-piperidin-4-yloxybut-3-en-2-one
SMILESC=CC(=O)COC1CCNCC1
InChIInChI=1S/C9H15NO2/c1-2-8(11)7-12-9-3-5-10-6-4-9/h2,9-10H,1,3-7H2
InChIKeyUJCXXHQVUBTEJU-UHFFFAOYSA-N
XLogP0.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-piperidin-4-yloxybut-3-en-2-one 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-4-yloxybut-3-en-2-one?
The IUPAC name of 1-piperidin-4-yloxybut-3-en-2-one (CID 116571049) is 1-piperidin-4-yloxybut-3-en-2-one.
What is the SMILES notation for 1-piperidin-4-yloxybut-3-en-2-one?
The canonical SMILES for 1-piperidin-4-yloxybut-3-en-2-one is C=CC(=O)COC1CCNCC1.
What is the InChIKey of 1-piperidin-4-yloxybut-3-en-2-one?
The InChIKey is UJCXXHQVUBTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8(11)7-12-9-3-5-10-6-4-9/h2,9-10H,1,3-7H2.
What are the key properties of 1-piperidin-4-yloxybut-3-en-2-one?
1-piperidin-4-yloxybut-3-en-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yloxybut-3-en-2-one is sourced from PubChem (CID 116571049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).