4-octa-3,5,7-trien-3-ylpiperidine

C13H21N — CID 123912126

IUPAC4-octa-3,5,7-trien-3-ylpiperidine
SMILESC=CC=CC=C(CC)C1CCNCC1
InChIInChI=1S/C13H21N/c1-3-5-6-7-12(4-2)13-8-10-14-11-9-13/h3,5-7,13-14H,1,4,8-11H2,2H3
InChIKeyACVNFALDWBOTQH-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.06
Rot. Bonds4

About 4-octa-3,5,7-trien-3-ylpiperidine

4-octa-3,5,7-trien-3-ylpiperidine (PubChem CID 123912126) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-octa-3,5,7-trien-3-ylpiperidine.

Molecular Properties

Compound Name4-octa-3,5,7-trien-3-ylpiperidine
PubChem CID123912126
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-octa-3,5,7-trien-3-ylpiperidine
SMILESC=CC=CC=C(CC)C1CCNCC1
InChIInChI=1S/C13H21N/c1-3-5-6-7-12(4-2)13-8-10-14-11-9-13/h3,5-7,13-14H,1,4,8-11H2,2H3
InChIKeyACVNFALDWBOTQH-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-octa-3,5,7-trien-3-ylpiperidine 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-octa-3,5,7-trien-3-ylpiperidine?
The IUPAC name of 4-octa-3,5,7-trien-3-ylpiperidine (CID 123912126) is 4-octa-3,5,7-trien-3-ylpiperidine.
What is the SMILES notation for 4-octa-3,5,7-trien-3-ylpiperidine?
The canonical SMILES for 4-octa-3,5,7-trien-3-ylpiperidine is C=CC=CC=C(CC)C1CCNCC1.
What is the InChIKey of 4-octa-3,5,7-trien-3-ylpiperidine?
The InChIKey is ACVNFALDWBOTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-3-5-6-7-12(4-2)13-8-10-14-11-9-13/h3,5-7,13-14H,1,4,8-11H2,2H3.
What are the key properties of 4-octa-3,5,7-trien-3-ylpiperidine?
4-octa-3,5,7-trien-3-ylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octa-3,5,7-trien-3-ylpiperidine is sourced from PubChem (CID 123912126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).