1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

C20H33N3O2S — CID 1433375

IUPAC1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C20H33N3O2S/c1-20(2,3)17-5-7-19(8-6-17)26(24,25)23-11-9-18(10-12-23)22-15-13-21(4)14-16-22/h5-8,18H,9-16H2,1-4H3
InChIKeyYJXXVJCLYQHMBN-UHFFFAOYSA-N
MW379.57 g/mol
LogP2.38
Rot. Bonds3

About 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (PubChem CID 1433375) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
PubChem CID1433375
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Name1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C20H33N3O2S/c1-20(2,3)17-5-7-19(8-6-17)26(24,25)23-11-9-18(10-12-23)22-15-13-21(4)14-16-22/h5-8,18H,9-16H2,1-4H3
InChIKeyYJXXVJCLYQHMBN-UHFFFAOYSA-N
XLogP2.38
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (CID 1433375) is 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The InChIKey is YJXXVJCLYQHMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-20(2,3)17-5-7-19(8-6-17)26(24,25)23-11-9-18(10-12-23)22-15-13-21(4)14-16-22/h5-8,18H,9-16H2,1-4H3.
What are the key properties of 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine has a molecular weight of 379.57 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 1433375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).