1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine

C11H16FN — CID 22637767

IUPAC1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C11H16FN/c12-11(7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7H,2,5-6,8-10H2
InChIKeyUMZLMSDUISVIKR-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.65
Rot. Bonds1

About 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine

1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 22637767) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine
PubChem CID22637767
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1(N2CCCCC2)C=CC=CC1
InChIInChI=1S/C11H16FN/c12-11(7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7H,2,5-6,8-10H2
InChIKeyUMZLMSDUISVIKR-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine (CID 22637767) is 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine is FC1(N2CCCCC2)C=CC=CC1.
What is the InChIKey of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is UMZLMSDUISVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-11(7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7H,2,5-6,8-10H2.
What are the key properties of 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine?
1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 181.25 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorocyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 22637767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).