1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine

C14H19FN2O2S — CID 165435705

IUPAC1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(C1CC1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2S/c15-13-3-1-12(2-4-13)11-16-7-9-17(10-8-16)20(18,19)14-5-6-14/h1-4,14H,5-11H2
InChIKeyXTRVKULMRXESSY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.44
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine

1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 165435705) has the molecular formula C14H19FN2O2S and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID165435705
Molecular FormulaC14H19FN2O2S
Molecular Weight298.38 g/mol
Exact Mass298.12
IUPAC Name1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESO=S(=O)(C1CC1)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O2S/c15-13-3-1-12(2-4-13)11-16-7-9-17(10-8-16)20(18,19)14-5-6-14/h1-4,14H,5-11H2
InChIKeyXTRVKULMRXESSY-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(4-fluorophenyl)methyl]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine (CID 165435705) is 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine is O=S(=O)(C1CC1)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is XTRVKULMRXESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2S/c15-13-3-1-12(2-4-13)11-16-7-9-17(10-8-16)20(18,19)14-5-6-14/h1-4,14H,5-11H2.
What are the key properties of 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 298.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 165435705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).