ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate

C10H15F3N2O3 — CID 177326086

IUPACethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate
SMILES[H]/N=C(\C)OC(=O)N1CCC(OC)(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(14)18-8(16)15-5-3-9(17-2,4-6-15)10(11,12)13/h14H,3-6H2,1-2H3/b14-7+
InChIKeyQCSXONXFDFYBQK-VGOFMYFVSA-N
MW268.23 g/mol
LogP2.16
Rot. Bonds1

About ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate

ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate (PubChem CID 177326086) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate
PubChem CID177326086
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Nameethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate
SMILES[H]/N=C(\C)OC(=O)N1CCC(OC)(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(14)18-8(16)15-5-3-9(17-2,4-6-15)10(11,12)13/h14H,3-6H2,1-2H3/b14-7+
InChIKeyQCSXONXFDFYBQK-VGOFMYFVSA-N
XLogP2.16
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 155953063
2-chloro-1-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 121203329
3-chloro-1-[(3S)-3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129498760
tert-butyl 4-(C-ethanimidoyloxycarbonimidoyl)-1,4-diazepane-1-carboxylate
CID 123194670
1-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 137444491
2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171337818
tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate;hydrochloride
CID 91828194
1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
CID 166827927
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 128788820
tert-butyl 9-amino-9-(trifluoromethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894204

Frequently Asked Questions

What is the IUPAC name of ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The IUPAC name of ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate (CID 177326086) is ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The canonical SMILES for ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate is [H]/N=C(\C)OC(=O)N1CCC(OC)(C(F)(F)F)CC1.
What is the InChIKey of ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate?
The InChIKey is QCSXONXFDFYBQK-VGOFMYFVSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-7(14)18-8(16)15-5-3-9(17-2,4-6-15)10(11,12)13/h14H,3-6H2,1-2H3/b14-7+.
What are the key properties of ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate?
ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate has a molecular weight of 268.23 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidoyl 4-methoxy-4-(trifluoromethyl)piperidine-1-carboxylate is sourced from PubChem (CID 177326086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).