tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate

C16H23FN2O3 — CID 57433448

IUPACtert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-6-4-5-13(10-19)21-14-8-11(17)7-12(18)9-14/h7-9,13H,4-6,10,18H2,1-3H3
InChIKeyDLUYYHAUUHBESS-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.19
Rot. Bonds2

About tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate

tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate (PubChem CID 57433448) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
PubChem CID57433448
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cc(N)cc(F)c2)C1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-6-4-5-13(10-19)21-14-8-11(17)7-12(18)9-14/h7-9,13H,4-6,10,18H2,1-3H3
InChIKeyDLUYYHAUUHBESS-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[3,5-bis(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 24902462
tert-butyl 3-(3-amino-5-chlorophenoxy)pyrrolidine-1-carboxylate
CID 164584435
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-(3-iodophenoxy)piperidine-1-carboxylate
CID 67203985
tert-butyl 3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 146284888
[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxyphenyl]-oxidoazanium
CID 142830467
tert-butyl 3-[3-(dimethylamino)phenoxy]piperidine-1-carboxylate
CID 24902463
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
tert-butyl 4-(3-fluoro-5-formylphenoxy)piperidine-1-carboxylate
CID 86666498
tert-butyl (3R)-3-(3-chloro-4-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 170566656
tert-butyl 3-(5-fluoro-2-piperazin-1-ylphenoxy)piperidine-1-carboxylate
CID 58817428
tert-butyl 3-[4-amino-3-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate
CID 166611413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate (CID 57433448) is tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2cc(N)cc(F)c2)C1.
What is the InChIKey of tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate?
The InChIKey is DLUYYHAUUHBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-6-4-5-13(10-19)21-14-8-11(17)7-12(18)9-14/h7-9,13H,4-6,10,18H2,1-3H3.
What are the key properties of tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate?
tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-amino-5-fluorophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 57433448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).