1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine

C20H25FN2O3S — CID 110399335

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-16-13-18(5-8-20(16)26-2)14-22-9-11-23(12-10-22)27(24,25)15-17-3-6-19(21)7-4-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNRJQLUHXSHLIBP-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.79
Rot. Bonds6

About 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine

1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine (PubChem CID 110399335) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
PubChem CID110399335
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H25FN2O3S/c1-16-13-18(5-8-20(16)26-2)14-22-9-11-23(12-10-22)27(24,25)15-17-3-6-19(21)7-4-17/h3-8,13H,9-12,14-15H2,1-2H3
InChIKeyNRJQLUHXSHLIBP-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 110398703
1-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 110363861
1-benzylsulfonyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine
CID 4647369
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 110399069
4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
CID 82291366
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 37498144
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperazine
CID 112823037
(3-fluorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399259
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine (CID 110399335) is 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine is COc1ccc(CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine?
The InChIKey is NRJQLUHXSHLIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-16-13-18(5-8-20(16)26-2)14-22-9-11-23(12-10-22)27(24,25)15-17-3-6-19(21)7-4-17/h3-8,13H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine?
1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine has a molecular weight of 392.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 110399335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).