4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine

C14H20FN — CID 173171802

IUPAC4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C14H20FN/c1-2-9-16-10-7-12(8-11-16)13-5-3-4-6-14(13)15/h2-3,5,12H,1,4,6-11H2
InChIKeyKNGUAUUZKARGSO-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.46
Rot. Bonds3

About 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine

4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine (PubChem CID 173171802) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine
PubChem CID173171802
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C2=C(F)CCC=C2)CC1
InChIInChI=1S/C14H20FN/c1-2-9-16-10-7-12(8-11-16)13-5-3-4-6-14(13)15/h2-3,5,12H,1,4,6-11H2
InChIKeyKNGUAUUZKARGSO-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine?
The IUPAC name of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine (CID 173171802) is 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine.
What is the SMILES notation for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine?
The canonical SMILES for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine is C=CCN1CCC(C2=C(F)CCC=C2)CC1.
What is the InChIKey of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine?
The InChIKey is KNGUAUUZKARGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-2-9-16-10-7-12(8-11-16)13-5-3-4-6-14(13)15/h2-3,5,12H,1,4,6-11H2.
What are the key properties of 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine?
4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 173171802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).