4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one

C21H23ClFNO2 — CID 70448901

IUPAC4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(CCC(O)N1CCCCC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)19-3-1-2-14-24(19)21(26)13-12-20(25)16-6-10-18(23)11-7-16/h4-11,19,21,26H,1-3,12-14H2
InChIKeyOHPDXODUOHQNED-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.99
Rot. Bonds6

About 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one

4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one (PubChem CID 70448901) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
PubChem CID70448901
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(CCC(O)N1CCCCC1c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)19-3-1-2-14-24(19)21(26)13-12-20(25)16-6-10-18(23)11-7-16/h4-11,19,21,26H,1-3,12-14H2
InChIKeyOHPDXODUOHQNED-UHFFFAOYSA-N
XLogP4.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The IUPAC name of 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one (CID 70448901) is 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one is O=C(CCC(O)N1CCCCC1c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The InChIKey is OHPDXODUOHQNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-17-8-4-15(5-9-17)19-3-1-2-14-24(19)21(26)13-12-20(25)16-6-10-18(23)11-7-16/h4-11,19,21,26H,1-3,12-14H2.
What are the key properties of 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one has a molecular weight of 375.87 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 70448901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).