3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol

C12H15F3N2O — CID 117103815

IUPAC3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESNc1c(C(F)(F)F)cccc1C1(O)CCCNC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-1-3-8(10(9)16)11(18)5-2-6-17-7-11/h1,3-4,17-18H,2,5-7,16H2
InChIKeyZENXNPBKONCLPP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.86
Rot. Bonds1

About 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol

3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 117103815) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID117103815
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESNc1c(C(F)(F)F)cccc1C1(O)CCCNC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-4-1-3-8(10(9)16)11(18)5-2-6-17-7-11/h1,3-4,17-18H,2,5-7,16H2
InChIKeyZENXNPBKONCLPP-UHFFFAOYSA-N
XLogP1.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol (CID 117103815) is 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol is Nc1c(C(F)(F)F)cccc1C1(O)CCCNC1.
What is the InChIKey of 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is ZENXNPBKONCLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-4-1-3-8(10(9)16)11(18)5-2-6-17-7-11/h1,3-4,17-18H,2,5-7,16H2.
What are the key properties of 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol?
3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 260.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-3-(trifluoromethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 117103815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).