tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate

C18H27FN2O3 — CID 95566651

IUPACtert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate
SMILESCCOc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C18H27FN2O3/c1-5-23-16-7-6-12(19)10-14(16)13-8-9-21(11-15(13)20)17(22)24-18(2,3)4/h6-7,10,13,15H,5,8-9,11,20H2,1-4H3/t13-,15+/m1/s1
InChIKeyLZIXMNPPEXDGJW-HIFRSBDPSA-N
MW338.42 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate (PubChem CID 95566651) has the molecular formula C18H27FN2O3 and a molecular weight of 338.42 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate
PubChem CID95566651
Molecular FormulaC18H27FN2O3
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC Nametert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate
SMILESCCOc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N
InChIInChI=1S/C18H27FN2O3/c1-5-23-16-7-6-12(19)10-14(16)13-8-9-21(11-15(13)20)17(22)24-18(2,3)4/h6-7,10,13,15H,5,8-9,11,20H2,1-4H3/t13-,15+/m1/s1
InChIKeyLZIXMNPPEXDGJW-HIFRSBDPSA-N
XLogP3.28
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)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 (3R,4S)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate
CID 95566650
tert-butyl (3S,4R)-3-amino-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 39872120
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
tert-butyl (3S,4S)-3-amino-4-(2-methylphenyl)piperidine-1-carboxylate
CID 39872168
tert-butyl (3S,4R)-3-amino-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 39872209
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
tert-butyl 3-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]pyrrolidine-1-carboxylate
CID 107093000
tert-butyl (3S)-3-amino-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carboxylate
CID 155346444
tert-butyl (3R,4S)-4-amino-3-(4-fluorophenyl)piperidine-1-carboxylate
CID 58356142
tert-butyl (3S,4R)-4-amino-3-[(3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 123134884
tert-butyl (3S,4S)-3-amino-4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 129387404
tert-butyl 3-(4-ethoxy-3-fluoroanilino)pyrrolidine-1-carboxylate
CID 103818046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate (CID 95566651) is tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate is CCOc1ccc(F)cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1N.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is LZIXMNPPEXDGJW-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H27FN2O3/c1-5-23-16-7-6-12(19)10-14(16)13-8-9-21(11-15(13)20)17(22)24-18(2,3)4/h6-7,10,13,15H,5,8-9,11,20H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 338.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-amino-4-(2-ethoxy-5-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 95566651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).