4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine

C18H19BrFN — CID 79430023

IUPAC4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
SMILESCc1cc(C2CCNCC2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C18H19BrFN/c1-12-9-14(5-6-18(12)19)16-7-8-21-11-17(16)13-3-2-4-15(20)10-13/h2-6,9-10,16-17,21H,7-8,11H2,1H3
InChIKeySPCLJJNLLGXHRB-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.76
Rot. Bonds2

About 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine

4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine (PubChem CID 79430023) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
PubChem CID79430023
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC Name4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine
SMILESCc1cc(C2CCNCC2c2cccc(F)c2)ccc1Br
InChIInChI=1S/C18H19BrFN/c1-12-9-14(5-6-18(12)19)16-7-8-21-11-17(16)13-3-2-4-15(20)10-13/h2-6,9-10,16-17,21H,7-8,11H2,1H3
InChIKeySPCLJJNLLGXHRB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine?
The IUPAC name of 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine (CID 79430023) is 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine?
The canonical SMILES for 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine is Cc1cc(C2CCNCC2c2cccc(F)c2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine?
The InChIKey is SPCLJJNLLGXHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-12-9-14(5-6-18(12)19)16-7-8-21-11-17(16)13-3-2-4-15(20)10-13/h2-6,9-10,16-17,21H,7-8,11H2,1H3.
What are the key properties of 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine?
4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine has a molecular weight of 348.26 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)piperidine is sourced from PubChem (CID 79430023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).