ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate

C11H19F3N2O2 — CID 54893135

IUPACethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C)CC1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-9(17)10(15-8-11(12,13)14)4-6-16(2)7-5-10/h15H,3-8H2,1-2H3
InChIKeyVTUZPRZMQKDMSS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds4

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

ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (PubChem CID 54893135) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
PubChem CID54893135
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nameethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(NCC(F)(F)F)CCN(C)CC1
InChIInChI=1S/C11H19F3N2O2/c1-3-18-9(17)10(15-8-11(12,13)14)4-6-16(2)7-5-10/h15H,3-8H2,1-2H3
InChIKeyVTUZPRZMQKDMSS-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate (CID 54893135) is ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is CCOC(=O)C1(NCC(F)(F)F)CCN(C)CC1.
What is the InChIKey of ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
The InChIKey is VTUZPRZMQKDMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-3-18-9(17)10(15-8-11(12,13)14)4-6-16(2)7-5-10/h15H,3-8H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate?
ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxylate is sourced from PubChem (CID 54893135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).