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

C26H26ClF2NO2 — CID 56681829

IUPAC3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
SMILESCOc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1.Cl
InChIInChI=1S/C26H25F2NO2.ClH/c1-31-23-4-2-3-18(15-23)16-29-14-13-25(30)24(17-29)26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;/h2-12,15,24,26H,13-14,16-17H2,1H3;1H
InChIKeyASALBVQUOMZQNH-UHFFFAOYSA-N
MW457.95 g/mol
LogP5.62
Rot. Bonds6

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

3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride (PubChem CID 56681829) has the molecular formula C26H26ClF2NO2 and a molecular weight of 457.95 g/mol. Its IUPAC name is 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
PubChem CID56681829
Molecular FormulaC26H26ClF2NO2
Molecular Weight457.95 g/mol
Exact Mass457.16
IUPAC Name3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
SMILESCOc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1.Cl
InChIInChI=1S/C26H25F2NO2.ClH/c1-31-23-4-2-3-18(15-23)16-29-14-13-25(30)24(17-29)26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;/h2-12,15,24,26H,13-14,16-17H2,1H3;1H
InChIKeyASALBVQUOMZQNH-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-[(3-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-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The IUPAC name of 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride (CID 56681829) is 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The canonical SMILES for 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride is COc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1.Cl.
What is the InChIKey of 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
The InChIKey is ASALBVQUOMZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO2.ClH/c1-31-23-4-2-3-18(15-23)16-29-14-13-25(30)24(17-29)26(19-5-9-21(27)10-6-19)20-7-11-22(28)12-8-20;/h2-12,15,24,26H,13-14,16-17H2,1H3;1H.
What are the key properties of 3-[bis(4-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride?
3-[bis(4-fluorophenyl)methyl]-1-[(3-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-[(3-methoxyphenyl)methyl]piperidin-4-one;hydrochloride is sourced from PubChem (CID 56681829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).