2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one

C15H25NO — CID 79552803

IUPAC2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one
SMILESC=CC(C)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO/c1-3-12(2)16-11-7-6-9-14(16)13-8-4-5-10-15(13)17/h3,12-14H,1,4-11H2,2H3
InChIKeyPEPARSGDQPQVMB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.17
Rot. Bonds3

About 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one

2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one (PubChem CID 79552803) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one
PubChem CID79552803
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one
SMILESC=CC(C)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C15H25NO/c1-3-12(2)16-11-7-6-9-14(16)13-8-4-5-10-15(13)17/h3,12-14H,1,4-11H2,2H3
InChIKeyPEPARSGDQPQVMB-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-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 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one (CID 79552803) is 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one is C=CC(C)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one?
The InChIKey is PEPARSGDQPQVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-12(2)16-11-7-6-9-14(16)13-8-4-5-10-15(13)17/h3,12-14H,1,4-11H2,2H3.
What are the key properties of 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one?
2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-3-en-2-ylpiperidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79552803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).