1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine

C20H26N2O3S — CID 8694199

IUPAC1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-25-20-9-7-18(8-10-20)11-12-21-13-15-22(16-14-21)26(23,24)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3
InChIKeyPHDRUQXMJAHZIA-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.39
Rot. Bonds7

About 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine

1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 8694199) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
PubChem CID8694199
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc(CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-25-20-9-7-18(8-10-20)11-12-21-13-15-22(16-14-21)26(23,24)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3
InChIKeyPHDRUQXMJAHZIA-UHFFFAOYSA-N
XLogP2.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412395
1-[2-(4-methoxyphenyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine
CID 17486378
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-(3-methoxyphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 71954698
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
1-octadecylsulfonyl-4-(2-phenylethyl)piperazine
CID 68994874
1-(5-ethylthiophen-2-yl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 113074376
7-benzylsulfonyl-2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 91909942
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
1-(4-methoxy-3,5-dimethylphenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 112823091
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine (CID 8694199) is 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine is COc1ccc(CCN2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is PHDRUQXMJAHZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-25-20-9-7-18(8-10-20)11-12-21-13-15-22(16-14-21)26(23,24)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3.
What are the key properties of 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine?
1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 374.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 8694199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).