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

C11H16FN — CID 163674189

IUPAC4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1=CCC(C2CCNCC2)C=C1
InChIInChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3-4,9-10,13H,2,5-8H2
InChIKeyJFFBRWOUNUWWAP-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.42
Rot. Bonds1

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

4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 163674189) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine
PubChem CID163674189
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine
SMILESFC1=CCC(C2CCNCC2)C=C1
InChIInChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3-4,9-10,13H,2,5-8H2
InChIKeyJFFBRWOUNUWWAP-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine (CID 163674189) is 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine is FC1=CCC(C2CCNCC2)C=C1.
What is the InChIKey of 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is JFFBRWOUNUWWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3-4,9-10,13H,2,5-8H2.
What are the key properties of 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine?
4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 181.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 163674189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).