4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine

C11H16FN — CID 89358844

IUPAC4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine
SMILESFC1=CC=C(C2CCNCC2)CC1
InChIInChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,10,13H,2,4-8H2
InChIKeyQLBWQEOQAVQOAQ-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.56
Rot. Bonds1

About 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine

4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 89358844) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine
PubChem CID89358844
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine
SMILESFC1=CC=C(C2CCNCC2)CC1
InChIInChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,10,13H,2,4-8H2
InChIKeyQLBWQEOQAVQOAQ-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-fluoro-2-piperidin-4-ylaniline
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4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
3,5-difluoro-4-piperidin-4-ylphenol
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4-(3,5-dichloro-4-fluorophenyl)piperidine
CID 117372762
potassium 4-piperidin-4-ylphenolate
CID 143791971
4-(2-fluorophenyl)piperidine;molecular hydrogen
CID 156796206
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
4-(4-fluoro-1H-pyrazol-5-yl)piperidine;dihydrochloride
CID 155970629
2-(4-fluorophenyl)-5-piperidin-4-yl-1,3-thiazole
CID 118426930

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine (CID 89358844) is 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine is FC1=CC=C(C2CCNCC2)CC1.
What is the InChIKey of 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is QLBWQEOQAVQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1,3,10,13H,2,4-8H2.
What are the key properties of 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine?
4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 181.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 89358844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).