tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate

C16H23FN2O3 — CID 142395386

IUPACtert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2)C(F)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-9-8-14(13(17)10-19)21-12-6-4-11(18)5-7-12/h4-7,13-14H,8-10,18H2,1-3H3
InChIKeyUJGLZZHHFGEWOZ-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate

tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate (PubChem CID 142395386) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
PubChem CID142395386
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2)C(F)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-9-8-14(13(17)10-19)21-12-6-4-11(18)5-7-12/h4-7,13-14H,8-10,18H2,1-3H3
InChIKeyUJGLZZHHFGEWOZ-UHFFFAOYSA-N
XLogP3.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,4S)-3-fluoro-4-(4-methylsulfonylphenoxy)piperidine-1-carboxylate
CID 178170937
tert-butyl (3S,4S)-4-(4-amino-2-chlorophenoxy)-3-fluoropiperidine-1-carboxylate
CID 86704517
tert-butyl (3S,4S)-4-ethenoxy-3-fluoropiperidine-1-carboxylate
CID 156538377
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl (3R,4S)-3-fluoro-4-(trideuteriomethoxy)piperidine-1-carboxylate
CID 165390537
tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate
CID 140876664
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
4-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 83855966
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
tert-butyl (4R)-4-cyclohexyloxy-3-fluoropiperidine-1-carboxylate
CID 129294531
tert-butyl (3R,4R)-3-fluoro-4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
CID 89088003

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate (CID 142395386) is tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2)C(F)C1.
What is the InChIKey of tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate?
The InChIKey is UJGLZZHHFGEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-9-8-14(13(17)10-19)21-12-6-4-11(18)5-7-12/h4-7,13-14H,8-10,18H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate?
tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminophenoxy)-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 142395386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).