4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine

C13H25NO — CID 174866629

IUPAC4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine
SMILESCC(C)=C(C)C(C)(C)OC1CCNCC1
InChIInChI=1S/C13H25NO/c1-10(2)11(3)13(4,5)15-12-6-8-14-9-7-12/h12,14H,6-9H2,1-5H3
InChIKeyFKBXJHVWHKIHOZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds3

About 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine

4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine (PubChem CID 174866629) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine.

Molecular Properties

Compound Name4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine
PubChem CID174866629
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine
SMILESCC(C)=C(C)C(C)(C)OC1CCNCC1
InChIInChI=1S/C13H25NO/c1-10(2)11(3)13(4,5)15-12-6-8-14-9-7-12/h12,14H,6-9H2,1-5H3
InChIKeyFKBXJHVWHKIHOZ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine 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 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine?
The IUPAC name of 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine (CID 174866629) is 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine.
What is the SMILES notation for 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine?
The canonical SMILES for 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine is CC(C)=C(C)C(C)(C)OC1CCNCC1.
What is the InChIKey of 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine?
The InChIKey is FKBXJHVWHKIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)11(3)13(4,5)15-12-6-8-14-9-7-12/h12,14H,6-9H2,1-5H3.
What are the key properties of 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine?
4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4-trimethylpent-3-en-2-yloxy)piperidine is sourced from PubChem (CID 174866629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).