(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C14H17F3N2O — CID 61102753

IUPAC(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O/c1-9-4-2-6-11(18)12(9)13(20)19-7-3-5-10(8-19)14(15,16)17/h2,4,6,10H,3,5,7-8,18H2,1H3
InChIKeyMPLQRSZDCRHMBY-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.99
Rot. Bonds1

About (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 61102753) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID61102753
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O/c1-9-4-2-6-11(18)12(9)13(20)19-7-3-5-10(8-19)14(15,16)17/h2,4,6,10H,3,5,7-8,18H2,1H3
InChIKeyMPLQRSZDCRHMBY-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 61102753) is (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1cccc(N)c1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is MPLQRSZDCRHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-4-2-6-11(18)12(9)13(20)19-7-3-5-10(8-19)14(15,16)17/h2,4,6,10H,3,5,7-8,18H2,1H3.
What are the key properties of (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 286.30 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61102753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).