1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol

C16H20F6N2O — CID 23641160

IUPAC1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
SMILESCC(O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-10(25)14-9-23-3-5-24(14)4-2-11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10,14,23,25H,2-5,9H2,1H3/t10?,14-/m1/s1
InChIKeyHEEAFEFXEKSWBC-LNUXAPHWSA-N
MW370.34 g/mol
LogP2.92
Rot. Bonds4

About 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol

1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol (PubChem CID 23641160) has the molecular formula C16H20F6N2O and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
PubChem CID23641160
Molecular FormulaC16H20F6N2O
Molecular Weight370.34 g/mol
Exact Mass370.15
IUPAC Name1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol
SMILESCC(O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H20F6N2O/c1-10(25)14-9-23-3-5-24(14)4-2-11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10,14,23,25H,2-5,9H2,1H3/t10?,14-/m1/s1
InChIKeyHEEAFEFXEKSWBC-LNUXAPHWSA-N
XLogP2.92
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol (CID 23641160) is 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol is CC(O)[C@H]1CNCCN1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol?
The InChIKey is HEEAFEFXEKSWBC-LNUXAPHWSA-N. The full InChI is InChI=1S/C16H20F6N2O/c1-10(25)14-9-23-3-5-24(14)4-2-11-6-12(15(17,18)19)8-13(7-11)16(20,21)22/h6-8,10,14,23,25H,2-5,9H2,1H3/t10?,14-/m1/s1.
What are the key properties of 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol?
1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol has a molecular weight of 370.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23641160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).