(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine

C17H19FN2 — CID 11543595

IUPAC(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2/c1-13-12-19-9-10-20(13)17-11-15(7-8-16(17)18)14-5-3-2-4-6-14/h2-8,11,13,19H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyGTTUADBPLOFPLL-CYBMUJFWSA-N
MW270.35 g/mol
LogP3.29
Rot. Bonds2

About (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine

(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine (PubChem CID 11543595) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
PubChem CID11543595
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C17H19FN2/c1-13-12-19-9-10-20(13)17-11-15(7-8-16(17)18)14-5-3-2-4-6-14/h2-8,11,13,19H,9-10,12H2,1H3/t13-/m1/s1
InChIKeyGTTUADBPLOFPLL-CYBMUJFWSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine (CID 11543595) is (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine is C[C@@H]1CNCCN1c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine?
The InChIKey is GTTUADBPLOFPLL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2/c1-13-12-19-9-10-20(13)17-11-15(7-8-16(17)18)14-5-3-2-4-6-14/h2-8,11,13,19H,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine?
(2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine has a molecular weight of 270.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluoro-5-phenylphenyl)-2-methylpiperazine is sourced from PubChem (CID 11543595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).