2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol

C14H19F3N2O — CID 107226950

IUPAC2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
SMILESNc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-8-11(3-4-13(12)18)19-6-1-2-10(9-19)5-7-20/h3-4,8,10,20H,1-2,5-7,9,18H2
InChIKeyVMXVQUHZMUUKJS-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.89
Rot. Bonds3

About 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol

2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol (PubChem CID 107226950) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
PubChem CID107226950
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
SMILESNc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)12-8-11(3-4-13(12)18)19-6-1-2-10(9-19)5-7-20/h3-4,8,10,20H,1-2,5-7,9,18H2
InChIKeyVMXVQUHZMUUKJS-UHFFFAOYSA-N
XLogP2.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227083
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)benzenecarbothioamide
CID 114797684
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
2-[1-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 71166795
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
4-(4-ethyl-3-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
CID 63608539
2-[1-[6-(aminomethyl)-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227098

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol (CID 107226950) is 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol is Nc1ccc(N2CCCC(CCO)C2)cc1C(F)(F)F.
What is the InChIKey of 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
The InChIKey is VMXVQUHZMUUKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)12-8-11(3-4-13(12)18)19-6-1-2-10(9-19)5-7-20/h3-4,8,10,20H,1-2,5-7,9,18H2.
What are the key properties of 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol?
2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-3-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107226950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).