3-(2,3,4,5-tetrafluorophenyl)piperidine

C11H11F4N — CID 117116503

IUPAC3-(2,3,4,5-tetrafluorophenyl)piperidine
SMILESFc1cc(C2CCCNC2)c(F)c(F)c1F
InChIInChI=1S/C11H11F4N/c12-8-4-7(6-2-1-3-16-5-6)9(13)11(15)10(8)14/h4,6,16H,1-3,5H2
InChIKeyIYSBBMAHHVZWHM-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.71
Rot. Bonds1

About 3-(2,3,4,5-tetrafluorophenyl)piperidine

3-(2,3,4,5-tetrafluorophenyl)piperidine (PubChem CID 117116503) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 3-(2,3,4,5-tetrafluorophenyl)piperidine.

Molecular Properties

Compound Name3-(2,3,4,5-tetrafluorophenyl)piperidine
PubChem CID117116503
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name3-(2,3,4,5-tetrafluorophenyl)piperidine
SMILESFc1cc(C2CCCNC2)c(F)c(F)c1F
InChIInChI=1S/C11H11F4N/c12-8-4-7(6-2-1-3-16-5-6)9(13)11(15)10(8)14/h4,6,16H,1-3,5H2
InChIKeyIYSBBMAHHVZWHM-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,5-trifluoro-4-methylsulfanylphenyl)piperidine
CID 117407297
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
2-fluoro-5-piperidin-3-ylbenzene-1,4-diol
CID 117301308
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649
2-fluoro-4-methyl-6-piperidin-3-ylbenzene-1,3-diol
CID 84790142
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-(3,4-difluoro-5-nitrophenyl)piperidine
CID 117357182

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetrafluorophenyl)piperidine?
The IUPAC name of 3-(2,3,4,5-tetrafluorophenyl)piperidine (CID 117116503) is 3-(2,3,4,5-tetrafluorophenyl)piperidine.
What is the SMILES notation for 3-(2,3,4,5-tetrafluorophenyl)piperidine?
The canonical SMILES for 3-(2,3,4,5-tetrafluorophenyl)piperidine is Fc1cc(C2CCCNC2)c(F)c(F)c1F.
What is the InChIKey of 3-(2,3,4,5-tetrafluorophenyl)piperidine?
The InChIKey is IYSBBMAHHVZWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-8-4-7(6-2-1-3-16-5-6)9(13)11(15)10(8)14/h4,6,16H,1-3,5H2.
What are the key properties of 3-(2,3,4,5-tetrafluorophenyl)piperidine?
3-(2,3,4,5-tetrafluorophenyl)piperidine has a molecular weight of 233.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5-tetrafluorophenyl)piperidine is sourced from PubChem (CID 117116503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).