1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine

C44H64F3N3O7S3 — CID 159917565

IUPAC1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.COCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C15H22FNO3S.C15H22FNO2S.C14H20FNO2S/c1-20-11-10-17-8-6-12(7-9-17)13-4-3-5-14(15(13)16)21(2,18)19;1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(15(13)16)20(2,18)19;1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h3-5,12H,6-11H2,1-2H3;4-6,12H,3,7-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3
InChIKeyNXZCUXLDGCTWAH-UHFFFAOYSA-N
MW900.20 g/mol
LogP7.30
Rot. Bonds12

About 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine

1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine (PubChem CID 159917565) has the molecular formula C44H64F3N3O7S3 and a molecular weight of 900.20 g/mol. Its IUPAC name is 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine.

Molecular Properties

Compound Name1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
PubChem CID159917565
Molecular FormulaC44H64F3N3O7S3
Molecular Weight900.20 g/mol
Exact Mass899.39
IUPAC Name1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine
SMILESCCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.COCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1
InChIInChI=1S/C15H22FNO3S.C15H22FNO2S.C14H20FNO2S/c1-20-11-10-17-8-6-12(7-9-17)13-4-3-5-14(15(13)16)21(2,18)19;1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(15(13)16)20(2,18)19;1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h3-5,12H,6-11H2,1-2H3;4-6,12H,3,7-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3
InChIKeyNXZCUXLDGCTWAH-UHFFFAOYSA-N
XLogP7.30
TPSA121.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.20
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine 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 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The IUPAC name of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine (CID 159917565) is 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine.
What is the SMILES notation for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The canonical SMILES for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine is CCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.CCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.COCCN1CCC(c2cccc(S(C)(=O)=O)c2F)CC1.
What is the InChIKey of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
The InChIKey is NXZCUXLDGCTWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3S.C15H22FNO2S.C14H20FNO2S/c1-20-11-10-17-8-6-12(7-9-17)13-4-3-5-14(15(13)16)21(2,18)19;1-3-9-17-10-7-12(8-11-17)13-5-4-6-14(15(13)16)20(2,18)19;1-3-16-9-7-11(8-10-16)12-5-4-6-13(14(12)15)19(2,17)18/h3-5,12H,6-11H2,1-2H3;4-6,12H,3,7-11H2,1-2H3;4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine?
1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine has a molecular weight of 900.20 g/mol, XLogP of 7.30, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-fluoro-3-methylsulfonylphenyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-(2-methoxyethyl)piperidine;4-(2-fluoro-3-methylsulfonylphenyl)-1-propylpiperidine is sourced from PubChem (CID 159917565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).