tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

C16H27F3N2O5 — CID 126511702

IUPACtert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOCCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27F3N2O5/c1-15(2,3)26-13(22)20-7-5-12(6-8-20)21(11-16(17,18)19)14(23)25-10-9-24-4/h12H,5-11H2,1-4H3
InChIKeyDCUVYMSNROQXHB-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.03
Rot. Bonds5

About tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (PubChem CID 126511702) has the molecular formula C16H27F3N2O5 and a molecular weight of 384.40 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
PubChem CID126511702
Molecular FormulaC16H27F3N2O5
Molecular Weight384.40 g/mol
Exact Mass384.19
IUPAC Nametert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
SMILESCOCCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27F3N2O5/c1-15(2,3)26-13(22)20-7-5-12(6-8-20)21(11-16(17,18)19)14(23)25-10-9-24-4/h12H,5-11H2,1-4H3
InChIKeyDCUVYMSNROQXHB-UHFFFAOYSA-N
XLogP3.03
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 4-[carbonofluoridoyl(trifluoromethyl)amino]piperidine-1-carboxylate
CID 176438493
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-acetyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494008
4-[(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494009
tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
CID 59854963
tert-butyl (3R,4S)-4-(dimethylamino)-3-fluoropiperidine-1-carboxylate
CID 67241235
Tert-butyl 4-[(4,4-difluorocyclohexyl)-methylamino]piperidine-1-carboxylate
CID 68054491
tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
CID 71068527
Tert-butyl 4-[methyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 87386539
tert-butyl N-ethyl-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate
CID 90866384
Tert-butyl 4-[methoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 126511737
4-[2-Methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylic acid
CID 126511754
Tert-butyl 4-[ethyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 126511782

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate (CID 126511702) is tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is COCCOC(=O)N(CC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
The InChIKey is DCUVYMSNROQXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O5/c1-15(2,3)26-13(22)20-7-5-12(6-8-20)21(11-16(17,18)19)14(23)25-10-9-24-4/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate has a molecular weight of 384.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxyethoxycarbonyl(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126511702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).