1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine

C12H25N3O2S — CID 114421488

IUPAC1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCC1CCNC(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-11-3-4-13-12(9-11)10-14-5-7-15(8-6-14)18(2,16)17/h11-13H,3-10H2,1-2H3
InChIKeyUFTOECQXZVVMTQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.05
Rot. Bonds3

About 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine

1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine (PubChem CID 114421488) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
PubChem CID114421488
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
SMILESCC1CCNC(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C12H25N3O2S/c1-11-3-4-13-12(9-11)10-14-5-7-15(8-6-14)18(2,16)17/h11-13H,3-10H2,1-2H3
InChIKeyUFTOECQXZVVMTQ-UHFFFAOYSA-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

1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
CID 114421147
2-[(3-methoxypyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 103534656
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
2-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 114421617
N,4-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63003105
1-[(5-methyloxan-2-yl)methyl]-4-methylsulfonylpiperazine
CID 155367093
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
CID 114421553
(3S)-1-[(4-methylsulfonylpiperazin-2-yl)methyl]pyrrolidin-3-ol
CID 139920755
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine (CID 114421488) is 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine is CC1CCNC(CN2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is UFTOECQXZVVMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-3-4-13-12(9-11)10-14-5-7-15(8-6-14)18(2,16)17/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine?
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine 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 1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 114421488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).