1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine

C19H23FN2O2S — CID 8694227

IUPAC1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-16(18-7-9-19(20)10-8-18)21-11-13-22(14-12-21)25(23,24)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/t16-/m1/s1
InChIKeyCWXYAOAJNZTOGO-MRXNPFEDSA-N
MW362.47 g/mol
LogP3.03
Rot. Bonds5

About 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine

1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine (PubChem CID 8694227) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
PubChem CID8694227
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
SMILESC[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23FN2O2S/c1-16(18-7-9-19(20)10-8-18)21-11-13-22(14-12-21)25(23,24)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/t16-/m1/s1
InChIKeyCWXYAOAJNZTOGO-MRXNPFEDSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-benzylsulfonyl-4-[2-(4-fluorophenyl)propan-2-yl]piperazine
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1-(4-benzylsulfonylpiperazin-1-yl)-2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]ethanone
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2-(4-benzylsulfonylpiperazin-1-yl)-N-(2,4-difluorophenyl)propanamide
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1-[(1S)-1-(4-fluorophenyl)ethyl]-4-thiophen-2-ylsulfonylpiperazine
CID 8686758
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CID 174450752

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The IUPAC name of 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine (CID 8694227) is 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine is C[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
The InChIKey is CWXYAOAJNZTOGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-16(18-7-9-19(20)10-8-18)21-11-13-22(14-12-21)25(23,24)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine?
1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine has a molecular weight of 362.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine is sourced from PubChem (CID 8694227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).