4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine

C13H20FN — CID 143782124

IUPAC4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine
SMILESC=C/C=C(\C=C/C)C1(F)CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-6-12(7-5-2)13(14)8-10-15(3)11-9-13/h4-7H,1,8-11H2,2-3H3/b7-5-,12-6+
InChIKeyXRWMKLFNCPJKSL-NFWBANDSSA-N
MW209.31 g/mol
LogP3.11
Rot. Bonds3

About 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine

4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine (PubChem CID 143782124) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine
PubChem CID143782124
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine
SMILESC=C/C=C(\C=C/C)C1(F)CCN(C)CC1
InChIInChI=1S/C13H20FN/c1-4-6-12(7-5-2)13(14)8-10-15(3)11-9-13/h4-7H,1,8-11H2,2-3H3/b7-5-,12-6+
InChIKeyXRWMKLFNCPJKSL-NFWBANDSSA-N
XLogP3.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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'}

Analyze 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine 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-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine?
The IUPAC name of 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine (CID 143782124) is 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine.
What is the SMILES notation for 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine?
The canonical SMILES for 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine is C=C/C=C(\C=C/C)C1(F)CCN(C)CC1.
What is the InChIKey of 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine?
The InChIKey is XRWMKLFNCPJKSL-NFWBANDSSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-6-12(7-5-2)13(14)8-10-15(3)11-9-13/h4-7H,1,8-11H2,2-3H3/b7-5-,12-6+.
What are the key properties of 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine?
4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine has a molecular weight of 209.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidine is sourced from PubChem (CID 143782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).