1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine

C19H31N3O2S — CID 118308410

IUPAC1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C19H31N3O2S/c1-15-13-16(2)19(17(3)14-15)25(23,24)22-7-5-18(6-8-22)21-11-9-20(4)10-12-21/h13-14,18H,5-12H2,1-4H3
InChIKeyPUUWYPRBMXVQEC-UHFFFAOYSA-N
MW365.54 g/mol
LogP2.01
Rot. Bonds3

About 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine

1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine (PubChem CID 118308410) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine
PubChem CID118308410
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Name1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1
InChIInChI=1S/C19H31N3O2S/c1-15-13-16(2)19(17(3)14-15)25(23,24)22-7-5-18(6-8-22)21-11-9-20(4)10-12-21/h13-14,18H,5-12H2,1-4H3
InChIKeyPUUWYPRBMXVQEC-UHFFFAOYSA-N
XLogP2.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
1'-([1,1'-Biphenyl]-2-ylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308394
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
4-Adamantanyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
CID 4025879
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine (CID 118308410) is 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)c(C)c1.
What is the InChIKey of 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine?
The InChIKey is PUUWYPRBMXVQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-15-13-16(2)19(17(3)14-15)25(23,24)22-7-5-18(6-8-22)21-11-9-20(4)10-12-21/h13-14,18H,5-12H2,1-4H3.
What are the key properties of 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine?
1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine has a molecular weight of 365.54 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine is sourced from PubChem (CID 118308410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).