1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine

C25H23Cl3FNO — CID 143508323

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine
SMILESCc1cc(OCC2CCC(c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)ccc1F
InChIInChI=1S/C25H23Cl3FNO/c1-16-12-21(8-10-24(16)29)31-15-17-2-11-25(22-9-5-19(27)13-23(22)28)30(14-17)20-6-3-18(26)4-7-20/h3-10,12-13,17,25H,2,11,14-15H2,1H3
InChIKeyAPHZVGXQLWXRRT-UHFFFAOYSA-N
MW478.82 g/mol
LogP8.13
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine (PubChem CID 143508323) has the molecular formula C25H23Cl3FNO and a molecular weight of 478.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine
PubChem CID143508323
Molecular FormulaC25H23Cl3FNO
Molecular Weight478.82 g/mol
Exact Mass477.08
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine
SMILESCc1cc(OCC2CCC(c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)ccc1F
InChIInChI=1S/C25H23Cl3FNO/c1-16-12-21(8-10-24(16)29)31-15-17-2-11-25(22-9-5-19(27)13-23(22)28)30(14-17)20-6-3-18(26)4-7-20/h3-10,12-13,17,25H,2,11,14-15H2,1H3
InChIKeyAPHZVGXQLWXRRT-UHFFFAOYSA-N
XLogP8.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.82
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine (CID 143508323) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine is Cc1cc(OCC2CCC(c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)ccc1F.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine?
The InChIKey is APHZVGXQLWXRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3FNO/c1-16-12-21(8-10-24(16)29)31-15-17-2-11-25(22-9-5-19(27)13-23(22)28)30(14-17)20-6-3-18(26)4-7-20/h3-10,12-13,17,25H,2,11,14-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine has a molecular weight of 478.82 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-[(4-fluoro-3-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 143508323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).