4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol

C14H19F3N2O — CID 82980012

IUPAC4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O/c1-11(12-2-4-13(20)5-3-12)19-8-6-18(7-9-19)10-14(15,16)17/h2-5,11,20H,6-10H2,1H3
InChIKeyGAERDQDWJKJRAE-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.63
Rot. Bonds3

About 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol

4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol (PubChem CID 82980012) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol
PubChem CID82980012
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O/c1-11(12-2-4-13(20)5-3-12)19-8-6-18(7-9-19)10-14(15,16)17/h2-5,11,20H,6-10H2,1H3
InChIKeyGAERDQDWJKJRAE-UHFFFAOYSA-N
XLogP2.63
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol?
The IUPAC name of 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol (CID 82980012) is 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol?
The canonical SMILES for 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol is CC(c1ccc(O)cc1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol?
The InChIKey is GAERDQDWJKJRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-11(12-2-4-13(20)5-3-12)19-8-6-18(7-9-19)10-14(15,16)17/h2-5,11,20H,6-10H2,1H3.
What are the key properties of 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol?
4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol has a molecular weight of 288.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]phenol is sourced from PubChem (CID 82980012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).