1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine

C20H24FNO4S — CID 91918358

IUPAC1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C20H24FNO4S/c21-18-6-8-20(9-7-18)27(23,24)22-12-10-19(11-13-22)26-15-14-25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyXACOBUISLYZJOI-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.21
Rot. Bonds8

About 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine

1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine (PubChem CID 91918358) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
PubChem CID91918358
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C20H24FNO4S/c21-18-6-8-20(9-7-18)27(23,24)22-12-10-19(11-13-22)26-15-14-25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2
InChIKeyXACOBUISLYZJOI-UHFFFAOYSA-N
XLogP3.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine 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

1-(4-methylphenyl)sulfonyl-4-(3-phenylmethoxypropyl)piperidine
CID 162402953
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 163339762
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]oxypropan-1-ol;1-fluoro-4-methylbenzene
CID 142175614
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4739020
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine (CID 91918358) is 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine is O=S(=O)(c1ccc(F)cc1)N1CCC(OCCOCc2ccccc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine?
The InChIKey is XACOBUISLYZJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c21-18-6-8-20(9-7-18)27(23,24)22-12-10-19(11-13-22)26-15-14-25-16-17-4-2-1-3-5-17/h1-9,19H,10-16H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine?
1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine has a molecular weight of 393.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(2-phenylmethoxyethoxy)piperidine is sourced from PubChem (CID 91918358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).