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

C17H25F3N2O — CID 59774719

IUPAC2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(C)(C)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O/c1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)22-6-4-21(5-7-22)8-9-23/h10-12,23H,4-9H2,1-3H3
InChIKeyGBLCTZRZBSDQPT-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.12
Rot. Bonds3

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

2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (PubChem CID 59774719) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
PubChem CID59774719
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
SMILESCC(C)(C)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O/c1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)22-6-4-21(5-7-22)8-9-23/h10-12,23H,4-9H2,1-3H3
InChIKeyGBLCTZRZBSDQPT-UHFFFAOYSA-N
XLogP3.12
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide
CID 141147106
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59774721
[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]azanide
CID 154498491
1-(2-methoxyethyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 58366841
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 87585240
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
CID 171701811
2-[4-[2-[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]propanediamide
CID 91195120
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43592139
1-[4-[2-[4-[3-fluoro-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]propan-2-ol
CID 143598597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol (CID 59774719) is 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is CC(C)(C)c1cc(N2CCN(CCO)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
The InChIKey is GBLCTZRZBSDQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-16(2,3)13-10-14(17(18,19)20)12-15(11-13)22-6-4-21(5-7-22)8-9-23/h10-12,23H,4-9H2,1-3H3.
What are the key properties of 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol?
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol has a molecular weight of 330.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 59774719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).