1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine

C13H20N2O3S — CID 161252146

IUPAC1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)COCc2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-7-9-15(10-8-14)19(16,17)12-18-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyVBKGWWMGWLQFCF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.74
Rot. Bonds5

About 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine

1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine (PubChem CID 161252146) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine
PubChem CID161252146
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)COCc2ccccc2)CC1
InChIInChI=1S/C13H20N2O3S/c1-14-7-9-15(10-8-14)19(16,17)12-18-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeyVBKGWWMGWLQFCF-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[(2S,3S)-3-phenyloxiran-2-yl]sulfonylpiperazine
CID 71458078
Benzyl 4-(ethenesulfonyl)piperazine-1-carboxylate
CID 66698098
1-methyl-4-[(2S,3R)-3-phenyloxiran-2-yl]sulfonylpiperazine
CID 13728500
Ethyl 4-(3-phenyloxiran-2-yl)sulfonylpiperazine-1-carboxylate
CID 13728502
1-(3-Phenyloxiran-2-yl)sulfonyl-4-propylpiperazine
CID 13971473
1-Methyl-4-[3-(3-methylphenyl)oxiran-2-yl]sulfonylpiperazine
CID 13971483
1-Methyl-4-[3-(4-methylphenyl)oxiran-2-yl]sulfonylpiperazine
CID 13971485
(5R)-4-methyl-5-(phenylmethoxymethyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 49865981
N-{1-[2-(Benzyloxy)ethyl]piperidin-4-YL}methanesulfonamide
CID 56703319
2-(4-Methylmorpholin-4-yl)-1-(phenylmethoxy)ethane
CID 2302809
Benzyl 4-ethylpiperazine-1-carboxylate
CID 54368838
(3S)-1-ethylsulfonyl-3-(phenylmethoxymethyl)piperidine
CID 52314529

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine (CID 161252146) is 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine is CN1CCN(S(=O)(=O)COCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine?
The InChIKey is VBKGWWMGWLQFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-14-7-9-15(10-8-14)19(16,17)12-18-11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine?
1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine has a molecular weight of 284.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phenylmethoxymethylsulfonyl)piperazine is sourced from PubChem (CID 161252146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).