5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine

C25H27FN2O2S — CID 125009856

IUPAC5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
SMILESCc1cccc(CS(=O)(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1
InChIInChI=1S/C25H27FN2O2S/c1-19-4-2-5-22(14-19)18-31(29,30)28-13-3-6-23(17-28)25-12-9-21(16-27-25)15-20-7-10-24(26)11-8-20/h2,4-5,7-12,14,16,23H,3,6,13,15,17-18H2,1H3/t23-/m0/s1
InChIKeyVFHODUHYLMDOAR-QHCPKHFHSA-N
MW438.57 g/mol
LogP4.83
Rot. Bonds6

About 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine

5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine (PubChem CID 125009856) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
PubChem CID125009856
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC Name5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
SMILESCc1cccc(CS(=O)(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1
InChIInChI=1S/C25H27FN2O2S/c1-19-4-2-5-22(14-19)18-31(29,30)28-13-3-6-23(17-28)25-12-9-21(16-27-25)15-20-7-10-24(26)11-8-20/h2,4-5,7-12,14,16,23H,3,6,13,15,17-18H2,1H3/t23-/m0/s1
InChIKeyVFHODUHYLMDOAR-QHCPKHFHSA-N
XLogP4.83
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine 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

5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
(4-fluorophenyl)-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methanone
CID 110394842
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
CID 124975359
4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 125007611
1-[(3-methylphenyl)methylsulfonyl]piperidin-3-amine;hydrochloride
CID 119959520
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
N,N-dimethyl-2-[2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]imidazol-1-yl]ethanamine
CID 72861523
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
5-bromo-2-[[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]methoxy]pyrimidine
CID 138988558
1-[(4-fluorophenyl)methylsulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714805

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine (CID 125009856) is 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine is Cc1cccc(CS(=O)(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine?
The InChIKey is VFHODUHYLMDOAR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-19-4-2-5-22(14-19)18-31(29,30)28-13-3-6-23(17-28)25-12-9-21(16-27-25)15-20-7-10-24(26)11-8-20/h2,4-5,7-12,14,16,23H,3,6,13,15,17-18H2,1H3/t23-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine?
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine has a molecular weight of 438.57 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine is sourced from PubChem (CID 125009856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).