4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

C21H23ClFNO2 — CID 154395193

IUPAC4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2
InChIKeyDSUPVFQPRMPPAD-UHFFFAOYSA-N
MW375.87 g/mol
LogP4.43
Rot. Bonds6

About 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 154395193) has the molecular formula C21H23ClFNO2 and a molecular weight of 375.87 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID154395193
Molecular FormulaC21H23ClFNO2
Molecular Weight375.87 g/mol
Exact Mass375.14
IUPAC Name4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2
InChIKeyDSUPVFQPRMPPAD-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-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 154395193) is 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is DSUPVFQPRMPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFNO2/c22-18-4-1-3-17(15-18)21(26)10-13-24(14-11-21)12-2-5-20(25)16-6-8-19(23)9-7-16/h1,3-4,6-9,15,26H,2,5,10-14H2.
What are the key properties of 4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-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-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 154395193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).