4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol

C10H21N3O3S — CID 81115561

IUPAC4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C10H21N3O3S/c1-10(14)2-6-12(7-3-10)17(15,16)13-8-4-11-5-9-13/h11,14H,2-9H2,1H3
InChIKeyZWCUXHYRTLREHP-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.02
Rot. Bonds2

About 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol

4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol (PubChem CID 81115561) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
PubChem CID81115561
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C10H21N3O3S/c1-10(14)2-6-12(7-3-10)17(15,16)13-8-4-11-5-9-13/h11,14H,2-9H2,1H3
InChIKeyZWCUXHYRTLREHP-UHFFFAOYSA-N
XLogP-1.02
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol?
The IUPAC name of 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol (CID 81115561) is 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol.
What is the SMILES notation for 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol?
The canonical SMILES for 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol?
The InChIKey is ZWCUXHYRTLREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-10(14)2-6-12(7-3-10)17(15,16)13-8-4-11-5-9-13/h11,14H,2-9H2,1H3.
What are the key properties of 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol?
4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol has a molecular weight of 263.36 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperazin-1-ylsulfonylpiperidin-4-ol is sourced from PubChem (CID 81115561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).