3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride

C25H23ClF3NO — CID 56668294

IUPAC3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride
SMILESCl.O=C1CCN(Cc2ccccc2F)CC1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H22F3NO.ClH/c26-20-9-5-17(6-10-20)25(18-7-11-21(27)12-8-18)22-16-29(14-13-24(22)30)15-19-3-1-2-4-23(19)28;/h1-12,22,25H,13-16H2;1H
InChIKeyLSTDAQHMTQYRJL-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.75
Rot. Bonds5

About 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride

3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride (PubChem CID 56668294) has the molecular formula C25H23ClF3NO and a molecular weight of 445.91 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride
PubChem CID56668294
Molecular FormulaC25H23ClF3NO
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC Name3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride
SMILESCl.O=C1CCN(Cc2ccccc2F)CC1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H22F3NO.ClH/c26-20-9-5-17(6-10-20)25(18-7-11-21(27)12-8-18)22-16-29(14-13-24(22)30)15-19-3-1-2-4-23(19)28;/h1-12,22,25H,13-16H2;1H
InChIKeyLSTDAQHMTQYRJL-UHFFFAOYSA-N
XLogP5.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride (CID 56668294) is 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride is Cl.O=C1CCN(Cc2ccccc2F)CC1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride?
The InChIKey is LSTDAQHMTQYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO.ClH/c26-20-9-5-17(6-10-20)25(18-7-11-21(27)12-8-18)22-16-29(14-13-24(22)30)15-19-3-1-2-4-23(19)28;/h1-12,22,25H,13-16H2;1H.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride?
3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride has a molecular weight of 445.91 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-1-[(2-fluorophenyl)methyl]piperidin-4-one;hydrochloride is sourced from PubChem (CID 56668294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).