2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol

C14H22N2O3S — CID 22345218

IUPAC2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2ccc(O)c(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-6-15-7-9-16(10-8-15)12-4-5-13(17)14(11-12)20(2,18)19/h4-5,11,17H,3,6-10H2,1-2H3
InChIKeyMRNQBQOWIRUROI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.33
Rot. Bonds4

About 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol

2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol (PubChem CID 22345218) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol
PubChem CID22345218
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2ccc(O)c(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22N2O3S/c1-3-6-15-7-9-16(10-8-15)12-4-5-13(17)14(11-12)20(2,18)19/h4-5,11,17H,3,6-10H2,1-2H3
InChIKeyMRNQBQOWIRUROI-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol?
The IUPAC name of 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol (CID 22345218) is 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol?
The canonical SMILES for 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol is CCCN1CCN(c2ccc(O)c(S(C)(=O)=O)c2)CC1.
What is the InChIKey of 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol?
The InChIKey is MRNQBQOWIRUROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-3-6-15-7-9-16(10-8-15)12-4-5-13(17)14(11-12)20(2,18)19/h4-5,11,17H,3,6-10H2,1-2H3.
What are the key properties of 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol?
2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol has a molecular weight of 298.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-(4-propylpiperazin-1-yl)phenol is sourced from PubChem (CID 22345218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).