2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

C15H21F3N2O — CID 61075067

IUPAC2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-14(2,21)11-19-6-8-20(9-7-19)13-5-3-4-12(10-13)15(16,17)18/h3-5,10,21H,6-9,11H2,1-2H3
InChIKeyZVZSSRXXJDSWCE-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.60
Rot. Bonds3

About 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol

2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (PubChem CID 61075067) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
PubChem CID61075067
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-14(2,21)11-19-6-8-20(9-7-19)13-5-3-4-12(10-13)15(16,17)18/h3-5,10,21H,6-9,11H2,1-2H3
InChIKeyZVZSSRXXJDSWCE-UHFFFAOYSA-N
XLogP2.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-[4-(dimethylamino)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 71774827
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
N-(tert-butylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 2088202
1-[(Z)-2-methyl-3-phenylprop-2-enyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1376188
1-[(5-tert-butylfuran-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 22762653
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3867916
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol (CID 61075067) is 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is CC(C)(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
The InChIKey is ZVZSSRXXJDSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2,21)11-19-6-8-20(9-7-19)13-5-3-4-12(10-13)15(16,17)18/h3-5,10,21H,6-9,11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol has a molecular weight of 302.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 61075067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).