4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

C21H23ClFNO — CID 11382826

IUPAC4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
InChIKeyISTLEDHRAMPSGK-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.32
Rot. Bonds6

About 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 11382826) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID11382826
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC Name4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
InChIKeyISTLEDHRAMPSGK-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 11382826) is 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCC(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is ISTLEDHRAMPSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2.
What are the key properties of 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 359.87 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 11382826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).