4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine

C10H15F2N — CID 177231911

IUPAC4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine
SMILESC=C/C=C/CN1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N/c1-2-3-4-7-13-8-5-10(11,12)6-9-13/h2-4H,1,5-9H2/b4-3+
InChIKeyRVFXBAAZGWUSJF-ONEGZZNKSA-N
MW187.23 g/mol
LogP2.46
Rot. Bonds3

About 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine

4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine (PubChem CID 177231911) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine
PubChem CID177231911
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine
SMILESC=C/C=C/CN1CCC(F)(F)CC1
InChIInChI=1S/C10H15F2N/c1-2-3-4-7-13-8-5-10(11,12)6-9-13/h2-4H,1,5-9H2/b4-3+
InChIKeyRVFXBAAZGWUSJF-ONEGZZNKSA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]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 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine?
The IUPAC name of 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine (CID 177231911) is 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine is C=C/C=C/CN1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine?
The InChIKey is RVFXBAAZGWUSJF-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15F2N/c1-2-3-4-7-13-8-5-10(11,12)6-9-13/h2-4H,1,5-9H2/b4-3+.
What are the key properties of 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine?
4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine has a molecular weight of 187.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[(2E)-penta-2,4-dienyl]piperidine is sourced from PubChem (CID 177231911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).