4-(3,5-dichloro-4-fluorophenyl)piperidine

C11H12Cl2FN — CID 117372762

IUPAC4-(3,5-dichloro-4-fluorophenyl)piperidine
SMILESFc1c(Cl)cc(C2CCNCC2)cc1Cl
InChIInChI=1S/C11H12Cl2FN/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyRAEOKBYIUNEZKX-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.60
Rot. Bonds1

About 4-(3,5-dichloro-4-fluorophenyl)piperidine

4-(3,5-dichloro-4-fluorophenyl)piperidine (PubChem CID 117372762) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(3,5-dichloro-4-fluorophenyl)piperidine
PubChem CID117372762
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name4-(3,5-dichloro-4-fluorophenyl)piperidine
SMILESFc1c(Cl)cc(C2CCNCC2)cc1Cl
InChIInChI=1S/C11H12Cl2FN/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2
InChIKeyRAEOKBYIUNEZKX-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 84793263
5-chloro-4-fluoro-3-piperidin-4-ylbenzene-1,2-diol
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4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
CID 117446844
N-(3,5-dichloro-4-fluorophenyl)azepan-4-amine
CID 107572825
3-(3-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 84680018
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2-chloro-6-methyl-4-piperidin-4-ylpyridine;ethane
CID 144796408
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
4-(3-ethyl-5-fluorophenyl)piperidine
CID 84779770
4-(4-chlorophenyl)piperidine;ethane
CID 143751340

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-fluorophenyl)piperidine?
The IUPAC name of 4-(3,5-dichloro-4-fluorophenyl)piperidine (CID 117372762) is 4-(3,5-dichloro-4-fluorophenyl)piperidine.
What is the SMILES notation for 4-(3,5-dichloro-4-fluorophenyl)piperidine?
The canonical SMILES for 4-(3,5-dichloro-4-fluorophenyl)piperidine is Fc1c(Cl)cc(C2CCNCC2)cc1Cl.
What is the InChIKey of 4-(3,5-dichloro-4-fluorophenyl)piperidine?
The InChIKey is RAEOKBYIUNEZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c12-9-5-8(6-10(13)11(9)14)7-1-3-15-4-2-7/h5-7,15H,1-4H2.
What are the key properties of 4-(3,5-dichloro-4-fluorophenyl)piperidine?
4-(3,5-dichloro-4-fluorophenyl)piperidine has a molecular weight of 248.13 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-fluorophenyl)piperidine is sourced from PubChem (CID 117372762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).