(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol

C15H25F3N4O — CID 95766594

IUPAC(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O
InChIInChI=1S/C15H25F3N4O/c1-3-13-9-20(6-7-21(13)8-12(2)23)10-14-19-4-5-22(14)11-15(16,17)18/h4-5,12-13,23H,3,6-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyQINKEOVBLWPGSR-CHWSQXEVSA-N
MW334.39 g/mol
LogP1.72
Rot. Bonds6

About (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol (PubChem CID 95766594) has the molecular formula C15H25F3N4O and a molecular weight of 334.39 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
PubChem CID95766594
Molecular FormulaC15H25F3N4O
Molecular Weight334.39 g/mol
Exact Mass334.20
IUPAC Name(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O
InChIInChI=1S/C15H25F3N4O/c1-3-13-9-20(6-7-21(13)8-12(2)23)10-14-19-4-5-22(14)11-15(16,17)18/h4-5,12-13,23H,3,6-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyQINKEOVBLWPGSR-CHWSQXEVSA-N
XLogP1.72
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol (CID 95766594) is (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol is CC[C@@H]1CN(Cc2nccn2CC(F)(F)F)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is QINKEOVBLWPGSR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25F3N4O/c1-3-13-9-20(6-7-21(13)8-12(2)23)10-14-19-4-5-22(14)11-15(16,17)18/h4-5,12-13,23H,3,6-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 334.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-ethyl-4-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95766594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).