(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone

C15H21FN2O2 — CID 99820667

IUPAC(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(2)14-9-17(3)6-7-18(14)15(20)12-5-4-11(19)8-13(12)16/h4-5,8,10,14,19H,6-7,9H2,1-3H3/t14-/m0/s1
InChIKeyLEYAHESAOTWTGM-AWEZNQCLSA-N
MW280.34 g/mol
LogP1.94
Rot. Bonds2

About (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone

(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 99820667) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone
PubChem CID99820667
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone
SMILESCC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(O)cc1F
InChIInChI=1S/C15H21FN2O2/c1-10(2)14-9-17(3)6-7-18(14)15(20)12-5-4-11(19)8-13(12)16/h4-5,8,10,14,19H,6-7,9H2,1-3H3/t14-/m0/s1
InChIKeyLEYAHESAOTWTGM-AWEZNQCLSA-N
XLogP1.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone (CID 99820667) is (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone is CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(O)cc1F.
What is the InChIKey of (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is LEYAHESAOTWTGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(2)14-9-17(3)6-7-18(14)15(20)12-5-4-11(19)8-13(12)16/h4-5,8,10,14,19H,6-7,9H2,1-3H3/t14-/m0/s1.
What are the key properties of (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone?
(2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 280.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-hydroxyphenyl)-[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 99820667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).