1-[4,4-bis(4-fluorophenyl)butyl]piperidine

C21H25F2N — CID 3040199

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24/h6-13,21H,1-5,14-16H2
InChIKeyCTFUUWFEHWHMTP-UHFFFAOYSA-N
MW329.43 g/mol
LogP5.36
Rot. Bonds6

About 1-[4,4-bis(4-fluorophenyl)butyl]piperidine

1-[4,4-bis(4-fluorophenyl)butyl]piperidine (PubChem CID 3040199) has the molecular formula C21H25F2N and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]piperidine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]piperidine
PubChem CID3040199
Molecular FormulaC21H25F2N
Molecular Weight329.43 g/mol
Exact Mass329.20
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]piperidine
SMILESFc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H25F2N/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24/h6-13,21H,1-5,14-16H2
InChIKeyCTFUUWFEHWHMTP-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine (CID 3040199) is 1-[4,4-bis(4-fluorophenyl)butyl]piperidine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine is Fc1ccc(C(CCCN2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine?
The InChIKey is CTFUUWFEHWHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24/h6-13,21H,1-5,14-16H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]piperidine?
1-[4,4-bis(4-fluorophenyl)butyl]piperidine has a molecular weight of 329.43 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]piperidine is sourced from PubChem (CID 3040199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).