2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

C14H19F3N2O — CID 58563433

IUPAC2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCc1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-11-8-12(14(15,16)17)10-13(9-11)19-4-2-18(3-5-19)6-7-20/h8-10,20H,2-7H2,1H3
InChIKeyNOFSGJCNLKRNAL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol

2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 58563433) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID58563433
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCc1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-11-8-12(14(15,16)17)10-13(9-11)19-4-2-18(3-5-19)6-7-20/h8-10,20H,2-7H2,1H3
InChIKeyNOFSGJCNLKRNAL-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (CID 58563433) is 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is Cc1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is NOFSGJCNLKRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-11-8-12(14(15,16)17)10-13(9-11)19-4-2-18(3-5-19)6-7-20/h8-10,20H,2-7H2,1H3.
What are the key properties of 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58563433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).