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

C11H23N3O2S — CID 62992754

IUPAC1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
SMILESCS(=O)(=O)N1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)10-11-4-2-3-5-12-11/h11-12H,2-10H2,1H3
InChIKeyPRLGLOLRRRQSIN-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.29
Rot. Bonds3

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

1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine (PubChem CID 62992754) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
PubChem CID62992754
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
SMILESCS(=O)(=O)N1CCN(CC2CCCCN2)CC1
InChIInChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)10-11-4-2-3-5-12-11/h11-12H,2-10H2,1H3
InChIKeyPRLGLOLRRRQSIN-UHFFFAOYSA-N
XLogP-0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 126542421
1-[[(2R)-piperidin-2-yl]methyl]piperidin-4-ol
CID 86323612
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 156593490
1-(piperidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55139612
2-[4-(piperidin-2-ylmethyl)piperazin-1-yl]ethanol;dihydrochloride
CID 53408908
2-[(4-methoxypiperidin-1-yl)methyl]azepane
CID 64569369
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine?
The IUPAC name of 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine (CID 62992754) is 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine?
The canonical SMILES for 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine is CS(=O)(=O)N1CCN(CC2CCCCN2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine?
The InChIKey is PRLGLOLRRRQSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-17(15,16)14-8-6-13(7-9-14)10-11-4-2-3-5-12-11/h11-12H,2-10H2,1H3.
What are the key properties of 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine?
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine has a molecular weight of 261.39 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine is sourced from PubChem (CID 62992754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).