1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one

C22H26FNO3 — CID 67760392

IUPAC1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCOc1cccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H26FNO3/c1-27-20-5-2-4-18(16-20)22(26)11-14-24(15-12-22)13-3-6-21(25)17-7-9-19(23)10-8-17/h2,4-5,7-10,16,26H,3,6,11-15H2,1H3
InChIKeyQHFREGJEYIMOLY-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.78
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one (PubChem CID 67760392) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
PubChem CID67760392
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
SMILESCOc1cccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H26FNO3/c1-27-20-5-2-4-18(16-20)22(26)11-14-24(15-12-22)13-3-6-21(25)17-7-9-19(23)10-8-17/h2,4-5,7-10,16,26H,3,6,11-15H2,1H3
InChIKeyQHFREGJEYIMOLY-UHFFFAOYSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one (CID 67760392) is 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one is COc1cccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
The InChIKey is QHFREGJEYIMOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-27-20-5-2-4-18(16-20)22(26)11-14-24(15-12-22)13-3-6-21(25)17-7-9-19(23)10-8-17/h2,4-5,7-10,16,26H,3,6,11-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one has a molecular weight of 371.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 67760392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).