1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine

C11H23N3O2S — CID 63621777

IUPAC1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine
SMILESCC1CN(S(=O)(=O)C2CCNCC2)CCN1C
InChIInChI=1S/C11H23N3O2S/c1-10-9-14(8-7-13(10)2)17(15,16)11-3-5-12-6-4-11/h10-12H,3-9H2,1-2H3
InChIKeyLEGCBLIAAPZWQM-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.30
Rot. Bonds2

About 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine

1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine (PubChem CID 63621777) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine.

Molecular Properties

Compound Name1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine
PubChem CID63621777
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine
SMILESCC1CN(S(=O)(=O)C2CCNCC2)CCN1C
InChIInChI=1S/C11H23N3O2S/c1-10-9-14(8-7-13(10)2)17(15,16)11-3-5-12-6-4-11/h10-12H,3-9H2,1-2H3
InChIKeyLEGCBLIAAPZWQM-UHFFFAOYSA-N
XLogP-0.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine?
The IUPAC name of 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine (CID 63621777) is 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine.
What is the SMILES notation for 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine?
The canonical SMILES for 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine is CC1CN(S(=O)(=O)C2CCNCC2)CCN1C.
What is the InChIKey of 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine?
The InChIKey is LEGCBLIAAPZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10-9-14(8-7-13(10)2)17(15,16)11-3-5-12-6-4-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine?
1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine has a molecular weight of 261.39 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-piperidin-4-ylsulfonylpiperazine is sourced from PubChem (CID 63621777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).