2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C9H17F3N2O — CID 166175485

IUPAC2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(CC(F)(F)F)CCN1CCO
InChIInChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFVADECUQGJWKA-MRVPVSSYSA-N
MW226.24 g/mol
LogP0.55
Rot. Bonds3

About 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 166175485) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID166175485
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESC[C@@H]1CN(CC(F)(F)F)CCN1CCO
InChIInChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1
InChIKeyLFVADECUQGJWKA-MRVPVSSYSA-N
XLogP0.55
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-tert-butyl-2-methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 121261181
2-[(2S)-2-methyl-4-(3-piperidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 99827529
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 120904205
1-[4-(2-hydroxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 66568110
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
2-[2-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanol;hydrochloride
CID 120904206
2-[2-methyl-4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanol;hydrochloride
CID 120849803
2-[(2S)-4-[(6-tert-butyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 134595804
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxylic acid
CID 174236619
2-cyclopropyl-3-(4-ethyl-3-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64788433

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 166175485) is 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is C[C@@H]1CN(CC(F)(F)F)CCN1CCO.
What is the InChIKey of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is LFVADECUQGJWKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-8-6-13(7-9(10,11)12)2-3-14(8)4-5-15/h8,15H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 166175485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).