4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine

C17H16BrClFN — CID 81442131

IUPAC4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccccc2Cl)ccc1Br
InChIInChI=1S/C17H16BrClFN/c18-15-6-5-11(9-17(15)20)12-7-8-21-10-14(12)13-3-1-2-4-16(13)19/h1-6,9,12,14,21H,7-8,10H2
InChIKeyMUPFLVNKMVOFFR-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.10
Rot. Bonds2

About 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine

4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine (PubChem CID 81442131) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine
PubChem CID81442131
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine
SMILESFc1cc(C2CCNCC2c2ccccc2Cl)ccc1Br
InChIInChI=1S/C17H16BrClFN/c18-15-6-5-11(9-17(15)20)12-7-8-21-10-14(12)13-3-1-2-4-16(13)19/h1-6,9,12,14,21H,7-8,10H2
InChIKeyMUPFLVNKMVOFFR-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.10
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-fluorophenyl)-3-(2-chlorophenyl)piperidine?
The IUPAC name of 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine (CID 81442131) is 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine?
The canonical SMILES for 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine is Fc1cc(C2CCNCC2c2ccccc2Cl)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine?
The InChIKey is MUPFLVNKMVOFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c18-15-6-5-11(9-17(15)20)12-7-8-21-10-14(12)13-3-1-2-4-16(13)19/h1-6,9,12,14,21H,7-8,10H2.
What are the key properties of 4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine?
4-(4-bromo-3-fluorophenyl)-3-(2-chlorophenyl)piperidine has a molecular weight of 368.68 g/mol, XLogP of 5.10, 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-fluorophenyl)-3-(2-chlorophenyl)piperidine is sourced from PubChem (CID 81442131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).