2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol

C14H19F3N2O — CID 171168760

IUPAC2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
SMILESOc1ccccc1[C@@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20/h1-4,12,18,20H,5-10H2/t12-/m1/s1
InChIKeyUOFNWBBTDIXVMY-GFCCVEGCSA-N
MW288.31 g/mol
LogP2.68
Rot. Bonds4

About 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol

2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol (PubChem CID 171168760) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol.

Molecular Properties

Compound Name2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
PubChem CID171168760
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
SMILESOc1ccccc1[C@@H](CCC(F)(F)F)N1CCNCC1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20/h1-4,12,18,20H,5-10H2/t12-/m1/s1
InChIKeyUOFNWBBTDIXVMY-GFCCVEGCSA-N
XLogP2.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2-bromophenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171162714
5-bromo-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171164499
1-[(1S)-4,4,4-trifluoro-1-(2-methoxyphenyl)butyl]piperazine;dihydrochloride
CID 171302441
2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171274672
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
1-[(1S)-1-(2,3-dimethylphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164319
1-[(1S)-1-(2-tert-butylsulfanylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303139
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171166984
1-[(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butyl]piperazine
CID 171303566
1-[(1R)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303637
2-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171274668
5-(diethylamino)-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302291

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The IUPAC name of 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol (CID 171168760) is 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol.
What is the SMILES notation for 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The canonical SMILES for 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol is Oc1ccccc1[C@@H](CCC(F)(F)F)N1CCNCC1.
What is the InChIKey of 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
The InChIKey is UOFNWBBTDIXVMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)6-5-12(19-9-7-18-8-10-19)11-3-1-2-4-13(11)20/h1-4,12,18,20H,5-10H2/t12-/m1/s1.
What are the key properties of 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol?
2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol has a molecular weight of 288.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol is sourced from PubChem (CID 171168760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).