1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride

C10H22ClN3O2S — CID 69236402

IUPAC1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-12-6-8-13(9-7-12)16(14,15)10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H
InChIKeyOIFHIPJHDZPCES-UHFFFAOYSA-N
MW283.82 g/mol
LogP-0.26
Rot. Bonds2

About 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride

1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride (PubChem CID 69236402) has the molecular formula C10H22ClN3O2S and a molecular weight of 283.82 g/mol. Its IUPAC name is 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride
PubChem CID69236402
Molecular FormulaC10H22ClN3O2S
Molecular Weight283.82 g/mol
Exact Mass283.11
IUPAC Name1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride
SMILESCN1CCN(S(=O)(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C10H21N3O2S.ClH/c1-12-6-8-13(9-7-12)16(14,15)10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H
InChIKeyOIFHIPJHDZPCES-UHFFFAOYSA-N
XLogP-0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride (CID 69236402) is 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride is CN1CCN(S(=O)(=O)C2CCNCC2)CC1.Cl.
What is the InChIKey of 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride?
The InChIKey is OIFHIPJHDZPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S.ClH/c1-12-6-8-13(9-7-12)16(14,15)10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H.
What are the key properties of 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride?
1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride has a molecular weight of 283.82 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-4-ylsulfonylpiperazine;hydrochloride is sourced from PubChem (CID 69236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).