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

C22H25ClFNO2 — CID 11303835

IUPAC4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(CO)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
InChIKeyRYVUGCZHTZPICS-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.47
Rot. Bonds7

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

4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 11303835) has the molecular formula C22H25ClFNO2 and a molecular weight of 389.90 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
PubChem CID11303835
Molecular FormulaC22H25ClFNO2
Molecular Weight389.90 g/mol
Exact Mass389.16
IUPAC Name4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCN1CCC(CO)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
InChIKeyRYVUGCZHTZPICS-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.47
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-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one (CID 11303835) is 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCN1CCC(CO)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is RYVUGCZHTZPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2.
What are the key properties of 4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one?
4-[4-(4-chlorophenyl)-4-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 389.90 g/mol, XLogP of 4.47, 7 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-(hydroxymethyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 11303835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).