1-(3-methylsulfonylphenyl)-4-propylpiperazine

C14H22N2O2S — CID 11529282

IUPAC1-(3-methylsulfonylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
InChIKeyIIFAQXPNYXJBMU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.62
Rot. Bonds4

About 1-(3-methylsulfonylphenyl)-4-propylpiperazine

1-(3-methylsulfonylphenyl)-4-propylpiperazine (PubChem CID 11529282) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-4-propylpiperazine
PubChem CID11529282
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(3-methylsulfonylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
InChIKeyIIFAQXPNYXJBMU-UHFFFAOYSA-N
XLogP1.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-4-propylpiperazine?
The IUPAC name of 1-(3-methylsulfonylphenyl)-4-propylpiperazine (CID 11529282) is 1-(3-methylsulfonylphenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-4-propylpiperazine?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-4-propylpiperazine is CCCN1CCN(c2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-4-propylpiperazine?
The InChIKey is IIFAQXPNYXJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-4-propylpiperazine?
1-(3-methylsulfonylphenyl)-4-propylpiperazine has a molecular weight of 282.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-4-propylpiperazine is sourced from PubChem (CID 11529282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).