ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

C15H19F3N2O2 — CID 118147516

IUPACethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C15H19F3N2O2/c1-3-22-14(21)12-6-7-20(9-10(12)2)13-5-4-11(8-19-13)15(16,17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyZEWDQZIFEFDDOV-CMPLNLGQSA-N
MW316.32 g/mol
LogP3.13
Rot. Bonds3

About ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 118147516) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID118147516
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Nameethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C15H19F3N2O2/c1-3-22-14(21)12-6-7-20(9-10(12)2)13-5-4-11(8-19-13)15(16,17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t10-,12+/m0/s1
InChIKeyZEWDQZIFEFDDOV-CMPLNLGQSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 118147516) is ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C[C@@H]1C.
What is the InChIKey of ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is ZEWDQZIFEFDDOV-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-3-22-14(21)12-6-7-20(9-10(12)2)13-5-4-11(8-19-13)15(16,17)18/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 316.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 118147516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).