4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine

C17H16Cl2FN — CID 79440006

IUPAC4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CNCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2FN/c18-15-6-5-11(9-16(15)19)12-7-8-21-10-14(12)13-3-1-2-4-17(13)20/h1-6,9,12,14,21H,7-8,10H2
InChIKeySVEHWHOMFFRHLJ-UHFFFAOYSA-N
MW324.23 g/mol
LogP4.99
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine

4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine (PubChem CID 79440006) has the molecular formula C17H16Cl2FN and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
PubChem CID79440006
Molecular FormulaC17H16Cl2FN
Molecular Weight324.23 g/mol
Exact Mass323.06
IUPAC Name4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CNCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2FN/c18-15-6-5-11(9-16(15)19)12-7-8-21-10-14(12)13-3-1-2-4-17(13)20/h1-6,9,12,14,21H,7-8,10H2
InChIKeySVEHWHOMFFRHLJ-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine (CID 79440006) is 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine is Fc1ccccc1C1CNCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine?
The InChIKey is SVEHWHOMFFRHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FN/c18-15-6-5-11(9-16(15)19)12-7-8-21-10-14(12)13-3-1-2-4-17(13)20/h1-6,9,12,14,21H,7-8,10H2.
What are the key properties of 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine?
4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine has a molecular weight of 324.23 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-(2-fluorophenyl)piperidine is sourced from PubChem (CID 79440006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).