(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine

C12H17FN2O2S — CID 69470131

IUPAC(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine
SMILESC[C@@]1(c2ccc(F)cc2)CNCCN1S(C)(=O)=O
InChIInChI=1S/C12H17FN2O2S/c1-12(10-3-5-11(13)6-4-10)9-14-7-8-15(12)18(2,16)17/h3-6,14H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyFMCFZTRBUPFVCI-LBPRGKRZSA-N
MW272.34 g/mol
LogP0.91
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine

(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine (PubChem CID 69470131) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine
PubChem CID69470131
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine
SMILESC[C@@]1(c2ccc(F)cc2)CNCCN1S(C)(=O)=O
InChIInChI=1S/C12H17FN2O2S/c1-12(10-3-5-11(13)6-4-10)9-14-7-8-15(12)18(2,16)17/h3-6,14H,7-9H2,1-2H3/t12-/m0/s1
InChIKeyFMCFZTRBUPFVCI-LBPRGKRZSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine (CID 69470131) is (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine is C[C@@]1(c2ccc(F)cc2)CNCCN1S(C)(=O)=O.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine?
The InChIKey is FMCFZTRBUPFVCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-12(10-3-5-11(13)6-4-10)9-14-7-8-15(12)18(2,16)17/h3-6,14H,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine?
(2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine has a molecular weight of 272.34 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-methyl-1-methylsulfonylpiperazine is sourced from PubChem (CID 69470131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).