4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one

C21H23ClFNO2 — CID 71315272

IUPAC4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2
InChIKeyURVMQMKGIVIILI-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.43
Rot. Bonds6

About 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one (PubChem CID 71315272) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
PubChem CID71315272
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F
InChIInChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2
InChIKeyURVMQMKGIVIILI-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one (CID 71315272) is 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one is O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1F.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one?
The InChIKey is URVMQMKGIVIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-17-9-7-16(8-10-17)21(26)11-14-24(15-12-21)13-3-6-20(25)18-4-1-2-5-19(18)23/h1-2,4-5,7-10,26H,3,6,11-15H2.
What are the key properties of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one?
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one has a molecular weight of 375.87 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 71315272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).