tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate

C17H24F2N2O4 — CID 86704526

IUPACtert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2OC(F)F)CC1
InChIInChI=1S/C17H24F2N2O4/c1-17(2,3)25-16(22)21-8-6-12(7-9-21)23-13-5-4-11(20)10-14(13)24-15(18)19/h4-5,10,12,15H,6-9,20H2,1-3H3
InChIKeyJLWNTIFJXHGTRL-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate (PubChem CID 86704526) has the molecular formula C17H24F2N2O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate
PubChem CID86704526
Molecular FormulaC17H24F2N2O4
Molecular Weight358.39 g/mol
Exact Mass358.17
IUPAC Nametert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2OC(F)F)CC1
InChIInChI=1S/C17H24F2N2O4/c1-17(2,3)25-16(22)21-8-6-12(7-9-21)23-13-5-4-11(20)10-14(13)24-15(18)19/h4-5,10,12,15H,6-9,20H2,1-3H3
InChIKeyJLWNTIFJXHGTRL-UHFFFAOYSA-N
XLogP3.65
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate (CID 86704526) is tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2OC(F)F)CC1.
What is the InChIKey of tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate?
The InChIKey is JLWNTIFJXHGTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O4/c1-17(2,3)25-16(22)21-8-6-12(7-9-21)23-13-5-4-11(20)10-14(13)24-15(18)19/h4-5,10,12,15H,6-9,20H2,1-3H3.
What are the key properties of tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-amino-2-(difluoromethoxy)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 86704526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).