1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine

C22H28FN3O3S — CID 1334438

IUPAC1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C22H28FN3O3S/c1-29-19-6-8-20(9-7-19)30(27,28)26-12-10-18(11-13-26)24-14-16-25(17-15-24)22-5-3-2-4-21(22)23/h2-9,18H,10-17H2,1H3
InChIKeyDJAZBQMPUFUZRN-UHFFFAOYSA-N
MW433.55 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine

1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine (PubChem CID 1334438) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
PubChem CID1334438
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1
InChIInChI=1S/C22H28FN3O3S/c1-29-19-6-8-20(9-7-19)30(27,28)26-12-10-18(11-13-26)24-14-16-25(17-15-24)22-5-3-2-4-21(22)23/h2-9,18H,10-17H2,1H3
InChIKeyDJAZBQMPUFUZRN-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
1-[1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308435
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 1041679
2-(4-methoxyphenyl)sulfonyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole
CID 110710854
1-[3-fluoro-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]phenyl]ethanone
CID 26541806
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
1-[1-[4-(2-fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
1-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazine
CID 1166949

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine (CID 1334438) is 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine is COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4F)CC3)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
The InChIKey is DJAZBQMPUFUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-29-19-6-8-20(9-7-19)30(27,28)26-12-10-18(11-13-26)24-14-16-25(17-15-24)22-5-3-2-4-21(22)23/h2-9,18H,10-17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine?
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine has a molecular weight of 433.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine is sourced from PubChem (CID 1334438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).