1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine

C24H31FN2O3S — CID 91916450

IUPAC1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31FN2O3S/c1-19-7-8-21(25)17-24(19)31(28,29)27-15-11-23(12-16-27)30-22-9-13-26(14-10-22)18-20-5-3-2-4-6-20/h2-8,17,22-23H,9-16,18H2,1H3
InChIKeyAHXZEHFTDPWJBY-UHFFFAOYSA-N
MW446.59 g/mol
LogP3.97
Rot. Bonds6

About 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine

1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine (PubChem CID 91916450) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
PubChem CID91916450
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31FN2O3S/c1-19-7-8-21(25)17-24(19)31(28,29)27-15-11-23(12-16-27)30-22-9-13-26(14-10-22)18-20-5-3-2-4-6-20/h2-8,17,22-23H,9-16,18H2,1H3
InChIKeyAHXZEHFTDPWJBY-UHFFFAOYSA-N
XLogP3.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine with MolForge

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

Launch Full Analysis

Related Compounds

CID 53465487
CID 53465487
CID 53465489
CID 53465489
CID 91908256
CID 91908256
CID 91916452
CID 91916452
CID 91906242
CID 91906242
CID 653936
CID 653936
CID 16887805
CID 16887805
CID 46100949
CID 46100949
CID 53189150
CID 53189150
CID 91916407
CID 91916407
CID 91916441
CID 91916441
CID 91916447
CID 91916447

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The IUPAC name of 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine (CID 91916450) is 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine is Cc1ccc(F)cc1S(=O)(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
The InChIKey is AHXZEHFTDPWJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-19-7-8-21(25)17-24(19)31(28,29)27-15-11-23(12-16-27)30-22-9-13-26(14-10-22)18-20-5-3-2-4-6-20/h2-8,17,22-23H,9-16,18H2,1H3.
What are the key properties of 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine?
1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine has a molecular weight of 446.59 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypiperidine is sourced from PubChem (CID 91916450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).