1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine

C15H24N2O2S — CID 770584

IUPAC1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
SMILESCCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)20(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFLXFUEZXFJGVIK-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.72
Rot. Bonds5

About 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine

1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine (PubChem CID 770584) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
PubChem CID770584
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
SMILESCCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)20(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3
InChIKeyFLXFUEZXFJGVIK-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazine
CID 719602
1-benzylsulfonyl-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2900486
1-[(4-chlorophenyl)methyl]-4-ethylsulfonylpiperazine;oxalic acid
CID 2901979
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
CID 75438528
1-(2-chloroethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 63386568
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine (CID 770584) is 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine is CCc1ccc(CN2CCN(S(=O)(=O)CC)CC2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine?
The InChIKey is FLXFUEZXFJGVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-14-5-7-15(8-6-14)13-16-9-11-17(12-10-16)20(18,19)4-2/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine?
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine has a molecular weight of 296.44 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine is sourced from PubChem (CID 770584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).