1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine

C19H23FN2O3S — CID 32673178

IUPAC1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O3S/c1-2-25-19-6-4-3-5-18(19)21-11-13-22(14-12-21)26(23,24)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyHOYSIBAFQDYQNO-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine

1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine (PubChem CID 32673178) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
PubChem CID32673178
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN2O3S/c1-2-25-19-6-4-3-5-18(19)21-11-13-22(14-12-21)26(23,24)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3
InChIKeyHOYSIBAFQDYQNO-UHFFFAOYSA-N
XLogP2.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
CID 71905539
1-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 110363861
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 35514584
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
CID 3877515
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole
CID 133465792
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 9430403
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine (CID 32673178) is 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine is CCOc1ccccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
The InChIKey is HOYSIBAFQDYQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-2-25-19-6-4-3-5-18(19)21-11-13-22(14-12-21)26(23,24)15-16-7-9-17(20)10-8-16/h3-10H,2,11-15H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine?
1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine has a molecular weight of 378.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine is sourced from PubChem (CID 32673178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).