[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone

C14H17F3N2O2 — CID 102969287

IUPAC[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cccc(C(F)(F)F)c2N)C1
InChIInChI=1S/C14H17F3N2O2/c1-21-9-4-3-7-19(8-9)13(20)10-5-2-6-11(12(10)18)14(15,16)17/h2,5-6,9H,3-4,7-8,18H2,1H3
InChIKeyRJGBQOZYHNJOHI-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.54
Rot. Bonds2

About [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone

[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102969287) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102969287
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2cccc(C(F)(F)F)c2N)C1
InChIInChI=1S/C14H17F3N2O2/c1-21-9-4-3-7-19(8-9)13(20)10-5-2-6-11(12(10)18)14(15,16)17/h2,5-6,9H,3-4,7-8,18H2,1H3
InChIKeyRJGBQOZYHNJOHI-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532722
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
[2-amino-3-(trifluoromethyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 18711855
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
[4-amino-2-(trifluoromethyl)phenyl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 164558687
[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
(4-bromo-2-sulfanylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 107036874
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 95352949
2-[2-(3-methoxypiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119181332
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone (CID 102969287) is [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2cccc(C(F)(F)F)c2N)C1.
What is the InChIKey of [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is RJGBQOZYHNJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-9-4-3-7-19(8-9)13(20)10-5-2-6-11(12(10)18)14(15,16)17/h2,5-6,9H,3-4,7-8,18H2,1H3.
What are the key properties of [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone?
[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 302.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102969287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).