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

C14H19F3N2O — CID 106835243

IUPAC1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-9(20)10-4-6-19(7-5-10)13-3-2-11(8-12(13)18)14(15,16)17/h2-3,8-10,20H,4-7,18H2,1H3
InChIKeyYQZPKRHTJRZJMD-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.88
Rot. Bonds2

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

1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (PubChem CID 106835243) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
PubChem CID106835243
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2ccc(C(F)(F)F)cc2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-9(20)10-4-6-19(7-5-10)13-3-2-11(8-12(13)18)14(15,16)17/h2-3,8-10,20H,4-7,18H2,1H3
InChIKeyYQZPKRHTJRZJMD-UHFFFAOYSA-N
XLogP2.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
CID 58829519
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115965207
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627015
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543002
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[1-(4-amino-2-chlorophenyl)piperidin-4-yl]ethanol
CID 106835281
1-[1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836510
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
CID 89310722
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol (CID 106835243) is 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2ccc(C(F)(F)F)cc2N)CC1.
What is the InChIKey of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
The InChIKey is YQZPKRHTJRZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-9(20)10-4-6-19(7-5-10)13-3-2-11(8-12(13)18)14(15,16)17/h2-3,8-10,20H,4-7,18H2,1H3.
What are the key properties of 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol?
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol has a molecular weight of 288.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106835243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).