1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

C13H17F3N2O — CID 70574641

IUPAC1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(19)18-6-5-17-8-12(18)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,9,12,17,19H,5-6,8H2,1H3
InChIKeyAYRDXWASTVNJTG-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.99
Rot. Bonds2

About 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 70574641) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID70574641
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-9(19)18-6-5-17-8-12(18)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,9,12,17,19H,5-6,8H2,1H3
InChIKeyAYRDXWASTVNJTG-UHFFFAOYSA-N
XLogP1.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2760009
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CID 79213
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CID 2060855
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CID 54765676
CID 54765676
CID 35748
CID 35748
CID 2737134
CID 2737134
CID 6484141
CID 6484141
CID 16191225
CID 16191225
CID 16191759
CID 16191759
CID 23641142
CID 23641142
CID 24792599
CID 24792599
CID 44143123
CID 44143123

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (CID 70574641) is 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is CC(O)N1CCNCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is AYRDXWASTVNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(19)18-6-5-17-8-12(18)10-3-2-4-11(7-10)13(14,15)16/h2-4,7,9,12,17,19H,5-6,8H2,1H3.
What are the key properties of 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 274.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 70574641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).