2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol

C14H19F3N2O2 — CID 82262802

IUPAC2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol
SMILESCC(C(O)c1cc(C(F)(F)F)ccc1O)N1CCNCC1
InChIInChI=1S/C14H19F3N2O2/c1-9(19-6-4-18-5-7-19)13(21)11-8-10(14(15,16)17)2-3-12(11)20/h2-3,8-9,13,18,20-21H,4-7H2,1H3
InChIKeyLCPAFCRRMFTHFZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.74
Rot. Bonds3

About 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol

2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol (PubChem CID 82262802) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol
PubChem CID82262802
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol
SMILESCC(C(O)c1cc(C(F)(F)F)ccc1O)N1CCNCC1
InChIInChI=1S/C14H19F3N2O2/c1-9(19-6-4-18-5-7-19)13(21)11-8-10(14(15,16)17)2-3-12(11)20/h2-3,8-9,13,18,20-21H,4-7H2,1H3
InChIKeyLCPAFCRRMFTHFZ-UHFFFAOYSA-N
XLogP1.74
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-4-(trifluoromethyl)phenol;dihydrochloride
CID 171301523
2-[(1S)-1-piperazin-1-ylprop-2-enyl]-4-(trifluoromethyl)phenol;dihydrochloride
CID 171299039
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-(trifluoromethyl)phenol
CID 171299054
1-[(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171170551
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
1-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171296986
1-[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165372
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171166814
1-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine
CID 171171793
1-[(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentyl]piperazine
CID 171310315
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292792

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol (CID 82262802) is 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol is CC(C(O)c1cc(C(F)(F)F)ccc1O)N1CCNCC1.
What is the InChIKey of 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol?
The InChIKey is LCPAFCRRMFTHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(19-6-4-18-5-7-19)13(21)11-8-10(14(15,16)17)2-3-12(11)20/h2-3,8-9,13,18,20-21H,4-7H2,1H3.
What are the key properties of 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol?
2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol has a molecular weight of 304.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2-piperazin-1-ylpropyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 82262802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).