1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one

C21H23F2NO — CID 19895458

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one
SMILESO=C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO/c22-18-7-3-16(4-8-18)21(17-5-9-19(23)10-6-17)2-1-13-24-14-11-20(25)12-15-24/h3-10,21H,1-2,11-15H2
InChIKeyJRWGMHZVFCUFPY-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.54
Rot. Bonds6

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

1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one (PubChem CID 19895458) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one
PubChem CID19895458
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one
SMILESO=C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2NO/c22-18-7-3-16(4-8-18)21(17-5-9-19(23)10-6-17)2-1-13-24-14-11-20(25)12-15-24/h3-10,21H,1-2,11-15H2
InChIKeyJRWGMHZVFCUFPY-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one (CID 19895458) is 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one is O=C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one?
The InChIKey is JRWGMHZVFCUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c22-18-7-3-16(4-8-18)21(17-5-9-19(23)10-6-17)2-1-13-24-14-11-20(25)12-15-24/h3-10,21H,1-2,11-15H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one?
1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one has a molecular weight of 343.42 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-one is sourced from PubChem (CID 19895458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).