4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine

C25H33FN2O3S — CID 57398009

IUPAC4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H33FN2O3S/c1-19-3-8-24(31-2)25(17-19)32(29,30)28-15-9-20(10-16-28)18-27-13-11-22(12-14-27)21-4-6-23(26)7-5-21/h3-8,17,20,22H,9-16,18H2,1-2H3
InChIKeyPEENEVREEPDLEY-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.42
Rot. Bonds6

About 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine

4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine (PubChem CID 57398009) has the molecular formula C25H33FN2O3S and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine
PubChem CID57398009
Molecular FormulaC25H33FN2O3S
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C25H33FN2O3S/c1-19-3-8-24(31-2)25(17-19)32(29,30)28-15-9-20(10-16-28)18-27-13-11-22(12-14-27)21-4-6-23(26)7-5-21/h3-8,17,20,22H,9-16,18H2,1-2H3
InChIKeyPEENEVREEPDLEY-UHFFFAOYSA-N
XLogP4.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine 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 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine (CID 57398009) is 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine is COc1ccc(C)cc1S(=O)(=O)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine?
The InChIKey is PEENEVREEPDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O3S/c1-19-3-8-24(31-2)25(17-19)32(29,30)28-15-9-20(10-16-28)18-27-13-11-22(12-14-27)21-4-6-23(26)7-5-21/h3-8,17,20,22H,9-16,18H2,1-2H3.
What are the key properties of 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine?
4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine has a molecular weight of 460.62 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 57398009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).