ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate

C13H23F3N2O3 — CID 61491227

IUPACethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-2-21-12(19)18-7-4-11(5-8-18)17-6-3-9-20-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyCLFWNWFPPVQECP-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.17
Rot. Bonds7

About ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate

ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate (PubChem CID 61491227) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate
PubChem CID61491227
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Nameethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O3/c1-2-21-12(19)18-7-4-11(5-8-18)17-6-3-9-20-10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyCLFWNWFPPVQECP-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Ethyl 4-amino-1-piperidinecarboxylate
CID 100867
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
Butyl 4-aminopiperidine-1-carboxylate
CID 23025360
2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
tert-butyl N-(3,3-difluoropiperidin-4-yl)carbamate
CID 72207657
t-Butyl (4R)-4-amino-3,3-difluoropiperidine-1-carboxylate
CID 86333108
Ethyl 4-{[3-(dimethylamino)-2,2-dimethylpropyl]amino}-1-piperidinecarboxylate
CID 24154035
ethyl N-(piperidin-4-yl)carbamate
CID 15595030
Tert-butyl 4-(2,2,2-trifluoroacetamido)piperidine-1-carboxylate
CID 21993671
tert-Butyl 4-((trifluoromethyl)amino)piperidine-1-carboxylate
CID 71629851

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate (CID 61491227) is ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCCOCC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate?
The InChIKey is CLFWNWFPPVQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-2-21-12(19)18-7-4-11(5-8-18)17-6-3-9-20-10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate?
ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2,2,2-trifluoroethoxy)propylamino]piperidine-1-carboxylate is sourced from PubChem (CID 61491227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).