1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine

C12H25N3O3S — CID 55251864

IUPAC1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
SMILESCS(=O)(=O)N1CCN(CCOC2CCNCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-19(16,17)15-8-6-14(7-9-15)10-11-18-12-2-4-13-5-3-12/h12-13H,2-11H2,1H3
InChIKeyUJCKGPSCFLMCSC-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.67
Rot. Bonds5

About 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine

1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine (PubChem CID 55251864) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
PubChem CID55251864
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine
SMILESCS(=O)(=O)N1CCN(CCOC2CCNCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-19(16,17)15-8-6-14(7-9-15)10-11-18-12-2-4-13-5-3-12/h12-13H,2-11H2,1H3
InChIKeyUJCKGPSCFLMCSC-UHFFFAOYSA-N
XLogP-0.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine 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 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine?
The IUPAC name of 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine (CID 55251864) is 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine?
The canonical SMILES for 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine is CS(=O)(=O)N1CCN(CCOC2CCNCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine?
The InChIKey is UJCKGPSCFLMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-19(16,17)15-8-6-14(7-9-15)10-11-18-12-2-4-13-5-3-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine?
1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine has a molecular weight of 291.42 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(2-piperidin-4-yloxyethyl)piperazine is sourced from PubChem (CID 55251864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).