1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine

C13H20FN — CID 123241859

IUPAC1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine
SMILESC=CC=CC=C(CF)CN1CCCCC1
InChIInChI=1S/C13H20FN/c1-2-3-5-8-13(11-14)12-15-9-6-4-7-10-15/h2-3,5,8H,1,4,6-7,9-12H2
InChIKeyJWKWIYXXJZXUDX-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.11
Rot. Bonds5

About 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine

1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine (PubChem CID 123241859) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine.

Molecular Properties

Compound Name1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine
PubChem CID123241859
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine
SMILESC=CC=CC=C(CF)CN1CCCCC1
InChIInChI=1S/C13H20FN/c1-2-3-5-8-13(11-14)12-15-9-6-4-7-10-15/h2-3,5,8H,1,4,6-7,9-12H2
InChIKeyJWKWIYXXJZXUDX-UHFFFAOYSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.11
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 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine?
The IUPAC name of 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine (CID 123241859) is 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine.
What is the SMILES notation for 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine?
The canonical SMILES for 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine is C=CC=CC=C(CF)CN1CCCCC1.
What is the InChIKey of 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine?
The InChIKey is JWKWIYXXJZXUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-3-5-8-13(11-14)12-15-9-6-4-7-10-15/h2-3,5,8H,1,4,6-7,9-12H2.
What are the key properties of 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine?
1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine has a molecular weight of 209.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethyl)hepta-2,4,6-trienyl]piperidine is sourced from PubChem (CID 123241859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).