2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine

C9H17F3N2O — CID 134445087

IUPAC2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine
SMILESCOCC1CC(N)CC(C)N1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6-3-7(13)4-8(5-15-2)14(6)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyGPTMSIBHLIPWMH-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.33
Rot. Bonds2

About 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine

2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine (PubChem CID 134445087) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine
PubChem CID134445087
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine
SMILESCOCC1CC(N)CC(C)N1C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-6-3-7(13)4-8(5-15-2)14(6)9(10,11)12/h6-8H,3-5,13H2,1-2H3
InChIKeyGPTMSIBHLIPWMH-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
9-(Trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 89943497
N-propan-2-yl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118442258
N-methyl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118447155
N-pentan-3-yl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 134345477
4,4-Difluoro-2-(methoxymethyl)-1,6-dimethylpiperidine
CID 166860393
3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 170903503
3,3-Difluoro-6-(methoxymethyl)-2-methylpiperidine
CID 171531275
2-(Ethoxymethyl)-4,4-difluoro-6-methyl-1-propan-2-ylpiperidine
CID 177120552
3-Fluoro-1-(1-methoxybutan-2-yl)piperidin-4-amine
CID 178011656
N-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43756309
N-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43758424

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine (CID 134445087) is 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine is COCC1CC(N)CC(C)N1C(F)(F)F.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine?
The InChIKey is GPTMSIBHLIPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6-3-7(13)4-8(5-15-2)14(6)9(10,11)12/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine?
2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-1-(trifluoromethyl)piperidin-4-amine is sourced from PubChem (CID 134445087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).