[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone

C13H15F3N2O3 — CID 172563826

IUPAC[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(OC(F)(F)F)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-9-1-2-10(11(17)7-9)12(20)18-5-3-8(19)4-6-18/h1-2,7-8,19H,3-6,17H2
InChIKeySUSCAPRQHZEOKI-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.76
Rot. Bonds2

About [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone

[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 172563826) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID172563826
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(OC(F)(F)F)ccc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-9-1-2-10(11(17)7-9)12(20)18-5-3-8(19)4-6-18/h1-2,7-8,19H,3-6,17H2
InChIKeySUSCAPRQHZEOKI-UHFFFAOYSA-N
XLogP1.76
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-4-(fluoroamino)oxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 172563832
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[(12S)-4-fluoro-12-hydroxy-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl]piperidin-1-yl]methanone
CID 177182958
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
[2-amino-4-(trifluoromethoxy)phenyl]-[4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749512
1-[4-[7-[1-[2-amino-4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 170734563
[4-[[2-amino-5-(oxolan-3-yl)-3-pyridinyl]amino]piperidin-1-yl]-[2-amino-4-(trifluoromethoxy)phenyl]methanone
CID 172563895
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 162749290
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-(cyclopropylamino)pyrimidin-4-yl]-4-hydroxypiperidin-1-yl]methanone
CID 162748741
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[5-fluoro-2-(1-methylazetidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidin-1-yl]methanone
CID 162749131
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[6-fluoro-2-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 164921735
[2-amino-4-(trifluoromethoxy)phenyl]-[4-(12-fluoro-4-oxa-8,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-13-yl)piperidin-1-yl]methanone
CID 177182876
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 172563826) is [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone is Nc1cc(OC(F)(F)F)ccc1C(=O)N1CCC(O)CC1.
What is the InChIKey of [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is SUSCAPRQHZEOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)21-9-1-2-10(11(17)7-9)12(20)18-5-3-8(19)4-6-18/h1-2,7-8,19H,3-6,17H2.
What are the key properties of [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 304.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethoxy)phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 172563826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).