4-[4,4-bis(4-fluorophenyl)butyl]piperidine

C21H25F2N — CID 19857167

IUPAC4-[4,4-bis(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(C(CCCC2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N/c22-19-8-4-17(5-9-19)21(18-6-10-20(23)11-7-18)3-1-2-16-12-14-24-15-13-16/h4-11,16,21,24H,1-3,12-15H2
InChIKeyQQTKJMJHPNGMFT-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.27
Rot. Bonds6

About 4-[4,4-bis(4-fluorophenyl)butyl]piperidine

4-[4,4-bis(4-fluorophenyl)butyl]piperidine (PubChem CID 19857167) has the molecular formula C21H25F2N and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[4,4-bis(4-fluorophenyl)butyl]piperidine.

Molecular Properties

Compound Name4-[4,4-bis(4-fluorophenyl)butyl]piperidine
PubChem CID19857167
Molecular FormulaC21H25F2N
Molecular Weight329.43 g/mol
Exact Mass329.20
IUPAC Name4-[4,4-bis(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(C(CCCC2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N/c22-19-8-4-17(5-9-19)21(18-6-10-20(23)11-7-18)3-1-2-16-12-14-24-15-13-16/h4-11,16,21,24H,1-3,12-15H2
InChIKeyQQTKJMJHPNGMFT-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The IUPAC name of 4-[4,4-bis(4-fluorophenyl)butyl]piperidine (CID 19857167) is 4-[4,4-bis(4-fluorophenyl)butyl]piperidine.
What is the SMILES notation for 4-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The canonical SMILES for 4-[4,4-bis(4-fluorophenyl)butyl]piperidine is Fc1ccc(C(CCCC2CCNCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The InChIKey is QQTKJMJHPNGMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N/c22-19-8-4-17(5-9-19)21(18-6-10-20(23)11-7-18)3-1-2-16-12-14-24-15-13-16/h4-11,16,21,24H,1-3,12-15H2.
What are the key properties of 4-[4,4-bis(4-fluorophenyl)butyl]piperidine?
4-[4,4-bis(4-fluorophenyl)butyl]piperidine has a molecular weight of 329.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4-bis(4-fluorophenyl)butyl]piperidine is sourced from PubChem (CID 19857167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).