1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine

C12H25N3O2S — CID 54973856

IUPAC1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-2-14-7-9-15(10-8-14)18(16,17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyZMDLMJNPYRXYPJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.05
Rot. Bonds4

About 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine

1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine (PubChem CID 54973856) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
PubChem CID54973856
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
SMILESCCN1CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-2-14-7-9-15(10-8-14)18(16,17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3
InChIKeyZMDLMJNPYRXYPJ-UHFFFAOYSA-N
XLogP-0.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54973979
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956
1-(cyclopentylmethylsulfonyl)-4-(cyclopropylmethyl)piperazine
CID 131916970
4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
CID 114460469
1-methyl-6-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200204
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
CID 178029460
3-ethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54972435
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
1-(2,2-dimethylpropylsulfonyl)-4-ethylpiperazine
CID 126759837

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine?
The IUPAC name of 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine (CID 54973856) is 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine?
The canonical SMILES for 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine is CCN1CCN(S(=O)(=O)CC2CCNCC2)CC1.
What is the InChIKey of 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine?
The InChIKey is ZMDLMJNPYRXYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-2-14-7-9-15(10-8-14)18(16,17)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine?
1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine has a molecular weight of 275.42 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine is sourced from PubChem (CID 54973856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).