4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol

C13H17F3N2O — CID 59790188

IUPAC4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESNc1cccc(C2(O)CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-18-6-4-12(19,5-7-18)10-2-1-3-11(17)8-10/h1-3,8,19H,4-7,9,17H2
InChIKeyPAHMYGARZWBDPS-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.11
Rot. Bonds2

About 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol

4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol (PubChem CID 59790188) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol
PubChem CID59790188
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol
SMILESNc1cccc(C2(O)CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-18-6-4-12(19,5-7-18)10-2-1-3-11(17)8-10/h1-3,8,19H,4-7,9,17H2
InChIKeyPAHMYGARZWBDPS-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.11
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

(1-(4-Aminophenethyl)piperidin-4-yl)diphenylmethanol
CID 118322617
Benzyl alcohol, m-amino-alpha-((ethylmethylamino)methyl)-
CID 59801
Benzyl alcohol, m-amino-alpha-((methylpropylamino)methyl)-
CID 60029
Benzyl alcohol, m-amino-alpha-((butylmethylamino)methyl)-
CID 60163
Benzyl alcohol, m-amino-alpha-((methylpentylamino)methyl)-
CID 60258
2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13320609
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]piperidine-1-sulfonamide
CID 10201346
4-(4-Amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol
CID 11381559
4-(4-Amino-2-fluorophenyl)-1-benzylpiperidin-4-ol
CID 18005300
2,2,2-Trifluoro-1-(4-fluoro-3-piperazin-1-ylphenyl)ethanol
CID 20785394
2-(4-Fluoro-3-piperazin-1-ylphenyl)propan-2-ol
CID 20785413
2-(2-Aminophenyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 21051575

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The IUPAC name of 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol (CID 59790188) is 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol.
What is the SMILES notation for 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The canonical SMILES for 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol is Nc1cccc(C2(O)CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
The InChIKey is PAHMYGARZWBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)9-18-6-4-12(19,5-7-18)10-2-1-3-11(17)8-10/h1-3,8,19H,4-7,9,17H2.
What are the key properties of 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol?
4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol has a molecular weight of 274.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-ol is sourced from PubChem (CID 59790188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).