methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

C14H25F3N2O2 — CID 83992234

IUPACmethyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)6-10-5-11(18-9-14(15,16)17)8-19(7-10)12(20)21-4/h10-11,18H,5-9H2,1-4H3
InChIKeyKOVPRYLWVPUUAZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.03
Rot. Bonds3

About methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate

methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (PubChem CID 83992234) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
PubChem CID83992234
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Namemethyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)6-10-5-11(18-9-14(15,16)17)8-19(7-10)12(20)21-4/h10-11,18H,5-9H2,1-4H3
InChIKeyKOVPRYLWVPUUAZ-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate (CID 83992234) is methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is COC(=O)N1CC(CC(C)(C)C)CC(NCC(F)(F)F)C1.
What is the InChIKey of methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
The InChIKey is KOVPRYLWVPUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)6-10-5-11(18-9-14(15,16)17)8-19(7-10)12(20)21-4/h10-11,18H,5-9H2,1-4H3.
What are the key properties of methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate?
methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate has a molecular weight of 310.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83992234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).