ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate

C16H24F3NO3 — CID 90017780

IUPACethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C16H24F3NO3/c1-2-23-13(21)12-6-10-20(11-7-12)14(22)15(16(17,18)19)8-4-3-5-9-15/h12H,2-11H2,1H3
InChIKeyOVOUJYZEAZWDHY-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.30
Rot. Bonds3

About ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate (PubChem CID 90017780) has the molecular formula C16H24F3NO3 and a molecular weight of 335.37 g/mol. Its IUPAC name is ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate
PubChem CID90017780
Molecular FormulaC16H24F3NO3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Nameethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1
InChIInChI=1S/C16H24F3NO3/c1-2-23-13(21)12-6-10-20(11-7-12)14(22)15(16(17,18)19)8-4-3-5-9-15/h12H,2-11H2,1H3
InChIKeyOVOUJYZEAZWDHY-UHFFFAOYSA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(cyclohexylcarbonyl)piperidine-4-carboxylate
CID 808378
Methyl 1-(cyclohexylcarbonyl)-4-piperidinecarboxylate
CID 798678
Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
Ethyl 1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carboxylate
CID 81929086
Ethyl 1-(1-(trifluoromethyl)cyclobutanecarbonyl)piperidin-4-carboxylate
CID 90017730
Ethyl 1-(1-(trifluoromethyl)cyclopentanecarbonyl)piperidin-4-carboxylate
CID 90018459
1-[1-(Trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 174730208
Isonipecotic acid, N-(cyclohexylcarbonyl)-, propyl ester
CID 91725731
Isonipecotic acid, N-(cyclohexylcarbonyl)-, isobutyl ester
CID 91728652
Isonipecotic acid, N-(cyclohexylcarbonyl)-, butyl ester
CID 91728653
Isonipecotic acid, N-(cyclohexylcarbonyl)-, pentyl ester
CID 91732560
Isonipecotic acid, N-(cyclohexylcarbonyl)-, hexyl ester
CID 91734601

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate (CID 90017780) is ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCCCC2)CC1.
What is the InChIKey of ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate?
The InChIKey is OVOUJYZEAZWDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO3/c1-2-23-13(21)12-6-10-20(11-7-12)14(22)15(16(17,18)19)8-4-3-5-9-15/h12H,2-11H2,1H3.
What are the key properties of ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate has a molecular weight of 335.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 90017780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).