3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine

C11H17F2N — CID 153483465

IUPAC3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-3-5-10(2)8-14-7-4-6-11(12,13)9-14/h3,5H,1,4,6-9H2,2H3/b10-5+
InChIKeyLTBWCYGDBFEDKY-BJMVGYQFSA-N
MW201.26 g/mol
LogP2.85
Rot. Bonds3

About 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine

3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine (PubChem CID 153483465) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine
PubChem CID153483465
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine
SMILESC=C/C=C(\C)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H17F2N/c1-3-5-10(2)8-14-7-4-6-11(12,13)9-14/h3,5H,1,4,6-9H2,2H3/b10-5+
InChIKeyLTBWCYGDBFEDKY-BJMVGYQFSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine (CID 153483465) is 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine is C=C/C=C(\C)CN1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine?
The InChIKey is LTBWCYGDBFEDKY-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H17F2N/c1-3-5-10(2)8-14-7-4-6-11(12,13)9-14/h3,5H,1,4,6-9H2,2H3/b10-5+.
What are the key properties of 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine?
3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine has a molecular weight of 201.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(2E)-2-methylpenta-2,4-dienyl]piperidine is sourced from PubChem (CID 153483465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).