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

C21H23ClFNO2 — CID 20528217

IUPAC2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(c1ccc(F)cc1)C(CCO)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClFNO2/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(11-14-25)21(26)17-3-7-19(23)8-4-17/h1-8,16,20,25H,9-14H2
InChIKeyXXWROOKCDYNSHA-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.29
Rot. Bonds6

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

2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one (PubChem CID 20528217) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
PubChem CID20528217
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one
SMILESO=C(c1ccc(F)cc1)C(CCO)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClFNO2/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(11-14-25)21(26)17-3-7-19(23)8-4-17/h1-8,16,20,25H,9-14H2
InChIKeyXXWROOKCDYNSHA-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The IUPAC name of 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one (CID 20528217) is 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one is O=C(c1ccc(F)cc1)C(CCO)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
The InChIKey is XXWROOKCDYNSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-18-5-1-15(2-6-18)16-9-12-24(13-10-16)20(11-14-25)21(26)17-3-7-19(23)8-4-17/h1-8,16,20,25H,9-14H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one?
2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one has a molecular weight of 375.87 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperidin-1-yl]-1-(4-fluorophenyl)-4-hydroxybutan-1-one is sourced from PubChem (CID 20528217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).