1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine

C21H26FN3O2S — CID 1333953

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H26FN3O2S/c22-18-6-8-21(9-7-18)28(26,27)25-12-10-20(11-13-25)24-16-14-23(15-17-24)19-4-2-1-3-5-19/h1-9,20H,10-17H2
InChIKeyMPUQCKHWBWXGGV-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.80
Rot. Bonds4

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine (PubChem CID 1333953) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
PubChem CID1333953
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H26FN3O2S/c22-18-6-8-21(9-7-18)28(26,27)25-12-10-20(11-13-25)24-16-14-23(15-17-24)19-4-2-1-3-5-19/h1-9,20H,10-17H2
InChIKeyMPUQCKHWBWXGGV-UHFFFAOYSA-N
XLogP2.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine 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-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-fluorophenyl)piperazine
CID 4061277
1-(benzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 779709
1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-4-phenylpiperazine
CID 1166947
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
cyclopropyl-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110412122
1-(4-fluorophenyl)-4-(4-nitrophenyl)sulfonylpiperazine
CID 1068502

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine (CID 1333953) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine is O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine?
The InChIKey is MPUQCKHWBWXGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c22-18-6-8-21(9-7-18)28(26,27)25-12-10-20(11-13-25)24-16-14-23(15-17-24)19-4-2-1-3-5-19/h1-9,20H,10-17H2.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine has a molecular weight of 403.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine is sourced from PubChem (CID 1333953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).