2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid

C13H15F3N2O2 — CID 61002013

IUPAC2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-9(2-4-10)11(12(19)20)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2,(H,19,20)
InChIKeySOKWDGHUTAZFSM-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.74
Rot. Bonds3

About 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid

2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 61002013) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID61002013
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-9(2-4-10)11(12(19)20)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2,(H,19,20)
InChIKeySOKWDGHUTAZFSM-UHFFFAOYSA-N
XLogP1.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 61002013) is 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is SOKWDGHUTAZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-3-1-9(2-4-10)11(12(19)20)18-7-5-17-6-8-18/h1-4,11,17H,5-8H2,(H,19,20).
What are the key properties of 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid?
2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 288.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 61002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).