4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine

C12H24N2O3S — CID 54971973

IUPAC4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-4-8-14(9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3
InChIKeyGKZQRSMFIAYHJI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds4

About 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine

4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine (PubChem CID 54971973) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine
PubChem CID54971973
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine
SMILESCOC1CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H24N2O3S/c1-17-12-4-8-14(9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3
InChIKeyGKZQRSMFIAYHJI-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine?
The IUPAC name of 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine (CID 54971973) is 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine.
What is the SMILES notation for 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine?
The canonical SMILES for 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine is COC1CCN(S(=O)(=O)CC2CCNCC2)CC1.
What is the InChIKey of 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine?
The InChIKey is GKZQRSMFIAYHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-12-4-8-14(9-5-12)18(15,16)10-11-2-6-13-7-3-11/h11-13H,2-10H2,1H3.
What are the key properties of 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine?
4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(piperidin-4-ylmethylsulfonyl)piperidine is sourced from PubChem (CID 54971973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).