(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine

C12H25N3O2S — CID 82713447

IUPAC(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
SMILESC[C@@H]1CNCCN1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25N3O2S/c1-11-8-13-5-7-14(11)9-12-4-3-6-15(10-12)18(2,16)17/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyLKNWBSMCIZDTTF-JHJMLUEUSA-N
MW275.42 g/mol
LogP-0.05
Rot. Bonds3

About (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine

(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine (PubChem CID 82713447) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
PubChem CID82713447
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
SMILESC[C@@H]1CNCCN1CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C12H25N3O2S/c1-11-8-13-5-7-14(11)9-12-4-3-6-15(10-12)18(2,16)17/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1
InChIKeyLKNWBSMCIZDTTF-JHJMLUEUSA-N
XLogP-0.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

7-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane
CID 79622838
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
1-(azetidin-3-yl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79612100
3-[[2-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methylsulfonylpiperidine
CID 80676287
1-methylsulfonyl-3-(pyrrolidin-3-ylmethoxymethyl)piperidine
CID 79611515
3,5-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine;hydrochloride
CID 119924247
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]ethanone
CID 79610693
[3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119926264
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 79622206
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
1-methylsulfonyl-3-(piperidin-4-yloxymethyl)piperidine
CID 79613125

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine?
The IUPAC name of (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine (CID 82713447) is (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine?
The canonical SMILES for (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine is C[C@@H]1CNCCN1CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine?
The InChIKey is LKNWBSMCIZDTTF-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-8-13-5-7-14(11)9-12-4-3-6-15(10-12)18(2,16)17/h11-13H,3-10H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine?
(2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine has a molecular weight of 275.42 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine is sourced from PubChem (CID 82713447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).