3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine

C12H17F2N — CID 156749616

IUPAC3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine
SMILESC=C/C=C\C(=C)CC1NCCCC1(F)F
InChIInChI=1S/C12H17F2N/c1-3-4-6-10(2)9-11-12(13,14)7-5-8-15-11/h3-4,6,11,15H,1-2,5,7-9H2/b6-4-
InChIKeyXHNSEAOQMJAVGH-XQRVVYSFSA-N
MW213.27 g/mol
LogP3.06
Rot. Bonds4

About 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine

3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine (PubChem CID 156749616) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine
PubChem CID156749616
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine
SMILESC=C/C=C\C(=C)CC1NCCCC1(F)F
InChIInChI=1S/C12H17F2N/c1-3-4-6-10(2)9-11-12(13,14)7-5-8-15-11/h3-4,6,11,15H,1-2,5,7-9H2/b6-4-
InChIKeyXHNSEAOQMJAVGH-XQRVVYSFSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-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 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine?
The IUPAC name of 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine (CID 156749616) is 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine.
What is the SMILES notation for 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine?
The canonical SMILES for 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine is C=C/C=C\C(=C)CC1NCCCC1(F)F.
What is the InChIKey of 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine?
The InChIKey is XHNSEAOQMJAVGH-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-4-6-10(2)9-11-12(13,14)7-5-8-15-11/h3-4,6,11,15H,1-2,5,7-9H2/b6-4-.
What are the key properties of 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine?
3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine has a molecular weight of 213.27 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 3,3-difluoro-2-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidine is sourced from PubChem (CID 156749616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).