1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine

C20H26N2O2S — CID 110398861

IUPAC1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C20H26N2O2S/c1-17-7-3-5-9-19(17)15-21-11-13-22(14-12-21)25(23,24)16-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyKKEPSBIXRFHYIA-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.95
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine

1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine (PubChem CID 110398861) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
PubChem CID110398861
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
SMILESCc1ccccc1CN1CCN(S(=O)(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C20H26N2O2S/c1-17-7-3-5-9-19(17)15-21-11-13-22(14-12-21)25(23,24)16-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3
InChIKeyKKEPSBIXRFHYIA-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
1-[(3-fluorophenyl)methylsulfonyl]-4-[(2-methylphenyl)methyl]-1,4-diazepane
CID 56513139
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
1-(4-chloro-2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 22208096
1-[(2-methylphenyl)methyl]-4-(3-propan-2-ylsulfonylpropyl)piperazine
CID 75426221
4-[(2-methylphenyl)methylsulfonyl]-N-phenylpiperazine-1-carboxamide
CID 110637840
cyclopentyl-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110364805
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642516

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine (CID 110398861) is 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine is Cc1ccccc1CN1CCN(S(=O)(=O)Cc2ccccc2C)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine?
The InChIKey is KKEPSBIXRFHYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-17-7-3-5-9-19(17)15-21-11-13-22(14-12-21)25(23,24)16-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine?
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine has a molecular weight of 358.51 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 110398861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).