1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine

C12H25N3O2S — CID 63619733

IUPAC1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)C2CCCNC2)CC1C
InChIInChI=1S/C12H25N3O2S/c1-3-14-7-8-15(10-11(14)2)18(16,17)12-5-4-6-13-9-12/h11-13H,3-10H2,1-2H3
InChIKeyDFZNWNWGUOXBMU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.09
Rot. Bonds3

About 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine

1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine (PubChem CID 63619733) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine
PubChem CID63619733
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine
SMILESCCN1CCN(S(=O)(=O)C2CCCNC2)CC1C
InChIInChI=1S/C12H25N3O2S/c1-3-14-7-8-15(10-11(14)2)18(16,17)12-5-4-6-13-9-12/h11-13H,3-10H2,1-2H3
InChIKeyDFZNWNWGUOXBMU-UHFFFAOYSA-N
XLogP0.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine?
The IUPAC name of 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine (CID 63619733) is 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine.
What is the SMILES notation for 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine?
The canonical SMILES for 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine is CCN1CCN(S(=O)(=O)C2CCCNC2)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine?
The InChIKey is DFZNWNWGUOXBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-3-14-7-8-15(10-11(14)2)18(16,17)12-5-4-6-13-9-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine?
1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine has a molecular weight of 275.42 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-piperidin-3-ylsulfonylpiperazine is sourced from PubChem (CID 63619733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).