2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

C12H21F3N2O2 — CID 170263814

IUPAC2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCCCC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-9(2)16-5-6-17(11(19)8-18)10(7-16)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyOFEZNYHWSDOZAM-AXDSSHIGSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds4

About 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 170263814) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID170263814
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCCCC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-3-4-9(2)16-5-6-17(11(19)8-18)10(7-16)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t9?,10-/m0/s1
InChIKeyOFEZNYHWSDOZAM-AXDSSHIGSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (CID 170263814) is 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is CCCC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is OFEZNYHWSDOZAM-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-4-9(2)16-5-6-17(11(19)8-18)10(7-16)12(13,14)15/h9-10,18H,3-8H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 282.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2S)-4-pentan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170263814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).