ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C13H23F3N2O2 — CID 60997872

IUPACethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C(C)C)CC1
InChIInChI=1S/C13H23F3N2O2/c1-4-20-11(19)12(17-9-13(14,15)16)5-7-18(8-6-12)10(2)3/h10,17H,4-9H2,1-3H3
InChIKeyCWJYXMXIEAIZCR-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.94
Rot. Bonds5

About ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 60997872) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID60997872
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Nameethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C(C)C)CC1
InChIInChI=1S/C13H23F3N2O2/c1-4-20-11(19)12(17-9-13(14,15)16)5-7-18(8-6-12)10(2)3/h10,17H,4-9H2,1-3H3
InChIKeyCWJYXMXIEAIZCR-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 60997872) is ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCN(C(C)C)CC1.
What is the InChIKey of ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is CWJYXMXIEAIZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-4-20-11(19)12(17-9-13(14,15)16)5-7-18(8-6-12)10(2)3/h10,17H,4-9H2,1-3H3.
What are the key properties of ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-propan-2-yl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 60997872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).