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

C15H21F3N2O — CID 71136901

IUPAC2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(CN2CCN(CCO)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-12-2-3-13(14(10-12)15(16,17)18)11-20-6-4-19(5-7-20)8-9-21/h2-3,10,21H,4-9,11H2,1H3
InChIKeyAIVKPBVVCCABIB-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.12
Rot. Bonds4

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

2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 71136901) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID71136901
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESCc1ccc(CN2CCN(CCO)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-12-2-3-13(14(10-12)15(16,17)18)11-20-6-4-19(5-7-20)8-9-21/h2-3,10,21H,4-9,11H2,1H3
InChIKeyAIVKPBVVCCABIB-UHFFFAOYSA-N
XLogP2.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol (CID 71136901) is 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol is Cc1ccc(CN2CCN(CCO)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is AIVKPBVVCCABIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-12-2-3-13(14(10-12)15(16,17)18)11-20-6-4-19(5-7-20)8-9-21/h2-3,10,21H,4-9,11H2,1H3.
What are the key properties of 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 302.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 71136901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).