1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one

C23H25F2NO2 — CID 10407739

IUPAC1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(C(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H25F2NO2/c24-20-7-3-17(4-8-20)16-23(28)19-11-14-26(15-12-19)13-1-2-22(27)18-5-9-21(25)10-6-18/h3-10,19H,1-2,11-16H2
InChIKeyYRVVMHBYSCLKFD-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.45
Rot. Bonds8

About 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one (PubChem CID 10407739) has the molecular formula C23H25F2NO2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one
PubChem CID10407739
Molecular FormulaC23H25F2NO2
Molecular Weight385.45 g/mol
Exact Mass385.19
IUPAC Name1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one
SMILESO=C(CCCN1CCC(C(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H25F2NO2/c24-20-7-3-17(4-8-20)16-23(28)19-11-14-26(15-12-19)13-1-2-22(27)18-5-9-21(25)10-6-18/h3-10,19H,1-2,11-16H2
InChIKeyYRVVMHBYSCLKFD-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one (CID 10407739) is 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one is O=C(CCCN1CCC(C(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one?
The InChIKey is YRVVMHBYSCLKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO2/c24-20-7-3-17(4-8-20)16-23(28)19-11-14-26(15-12-19)13-1-2-22(27)18-5-9-21(25)10-6-18/h3-10,19H,1-2,11-16H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one has a molecular weight of 385.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[2-(4-fluorophenyl)acetyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 10407739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).