1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine

C12H19N3O3S — CID 171690317

IUPAC1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
SMILESCOc1cc(CN2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C12H19N3O3S/c1-18-12-9-11(3-4-13-12)10-14-5-7-15(8-6-14)19(2,16)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZXTXACGTVYXEMI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.17
Rot. Bonds4

About 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine

1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine (PubChem CID 171690317) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
PubChem CID171690317
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine
SMILESCOc1cc(CN2CCN(S(C)(=O)=O)CC2)ccn1
InChIInChI=1S/C12H19N3O3S/c1-18-12-9-11(3-4-13-12)10-14-5-7-15(8-6-14)19(2,16)17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZXTXACGTVYXEMI-UHFFFAOYSA-N
XLogP0.17
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166605362
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol;oxalic acid
CID 17366102
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 171701507
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 1148260
1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine
CID 118549589
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
1-methylsulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366145
N-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine
CID 69225261
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
1-[(6-chloro-3-pyridinyl)methyl]-4-methylsulfonylpiperazine
CID 35150863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine (CID 171690317) is 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine is COc1cc(CN2CCN(S(C)(=O)=O)CC2)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine?
The InChIKey is ZXTXACGTVYXEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-12-9-11(3-4-13-12)10-14-5-7-15(8-6-14)19(2,16)17/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine?
1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine has a molecular weight of 285.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 171690317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).