4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine

C13H24FN — CID 134365732

IUPAC4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
SMILESCCC(F)C/C=C(\C)C1CCN(C)CC1
InChIInChI=1S/C13H24FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h5,12-13H,4,6-10H2,1-3H3/b11-5+
InChIKeyLTKJNNWSYUVXNP-VZUCSPMQSA-N
MW213.34 g/mol
LogP3.41
Rot. Bonds4

About 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine

4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine (PubChem CID 134365732) has the molecular formula C13H24FN and a molecular weight of 213.34 g/mol. Its IUPAC name is 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
PubChem CID134365732
Molecular FormulaC13H24FN
Molecular Weight213.34 g/mol
Exact Mass213.19
IUPAC Name4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
SMILESCCC(F)C/C=C(\C)C1CCN(C)CC1
InChIInChI=1S/C13H24FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h5,12-13H,4,6-10H2,1-3H3/b11-5+
InChIKeyLTKJNNWSYUVXNP-VZUCSPMQSA-N
XLogP3.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-(2,7-dimethyl-2,7-octadienyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine (CID 134365732) is 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine is CCC(F)C/C=C(\C)C1CCN(C)CC1.
What is the InChIKey of 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine?
The InChIKey is LTKJNNWSYUVXNP-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H24FN/c1-4-13(14)6-5-11(2)12-7-9-15(3)10-8-12/h5,12-13H,4,6-10H2,1-3H3/b11-5+.
What are the key properties of 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine?
4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine has a molecular weight of 213.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine is sourced from PubChem (CID 134365732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).