1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine

C14H21FN2O2S — CID 770688

IUPAC1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyZCULFEKBSDLKAU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.68
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine

1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine (PubChem CID 770688) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
PubChem CID770688
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN2O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyZCULFEKBSDLKAU-UHFFFAOYSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine 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-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine (CID 770688) is 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine?
The InChIKey is ZCULFEKBSDLKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-2-11-20(18,19)17-9-7-16(8-10-17)12-13-3-5-14(15)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine?
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine has a molecular weight of 300.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine is sourced from PubChem (CID 770688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).