2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol

C16H26N2O3S — CID 75443913

IUPAC2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)N1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-16(2,14-19)17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-7,19H,8-14H2,1-2H3
InChIKeyTZDJMZBNHYPKSB-UHFFFAOYSA-N
MW326.46 g/mol
LogP0.95
Rot. Bonds6

About 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol

2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol (PubChem CID 75443913) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol
PubChem CID75443913
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol
SMILESCC(C)(CO)N1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H26N2O3S/c1-16(2,14-19)17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-7,19H,8-14H2,1-2H3
InChIKeyTZDJMZBNHYPKSB-UHFFFAOYSA-N
XLogP0.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol 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 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol (CID 75443913) is 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol is CC(C)(CO)N1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol?
The InChIKey is TZDJMZBNHYPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-16(2,14-19)17-9-11-18(12-10-17)22(20,21)13-8-15-6-4-3-5-7-15/h3-7,19H,8-14H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol?
2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol has a molecular weight of 326.46 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-phenylethylsulfonyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 75443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).