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

C26H26ClF2NO2 — CID 56678484

IUPAC3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
SMILESCOc1ccccc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C26H25F2NO2.ClH/c1-31-25-5-3-2-4-20(25)16-29-15-14-24(30)23(17-29)26(18-6-10-21(27)11-7-18)19-8-12-22(28)13-9-19;/h2-13,23,26H,14-17H2,1H3;1H
InChIKeyNYHURGZGUBMCOE-UHFFFAOYSA-N
MW457.95 g/mol
LogP5.62
Rot. Bonds6

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

3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride (PubChem CID 56678484) has the molecular formula C26H26ClF2NO2 and a molecular weight of 457.95 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
PubChem CID56678484
Molecular FormulaC26H26ClF2NO2
Molecular Weight457.95 g/mol
Exact Mass457.16
IUPAC Name3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
SMILESCOc1ccccc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C26H25F2NO2.ClH/c1-31-25-5-3-2-4-20(25)16-29-15-14-24(30)23(17-29)26(18-6-10-21(27)11-7-18)19-8-12-22(28)13-9-19;/h2-13,23,26H,14-17H2,1H3;1H
InChIKeyNYHURGZGUBMCOE-UHFFFAOYSA-N
XLogP5.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.95
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)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-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride (CID 56678484) is 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride is COc1ccccc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The InChIKey is NYHURGZGUBMCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO2.ClH/c1-31-25-5-3-2-4-20(25)16-29-15-14-24(30)23(17-29)26(18-6-10-21(27)11-7-18)19-8-12-22(28)13-9-19;/h2-13,23,26H,14-17H2,1H3;1H.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride has a molecular weight of 457.95 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride is sourced from PubChem (CID 56678484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).