tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate

C18H26FNO5 — CID 171083364

IUPACtert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOc2cccc(O)c2F)CC1
InChIInChI=1S/C18H26FNO5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)23-11-12-24-15-6-4-5-14(21)16(15)19/h4-6,13,21H,7-12H2,1-3H3
InChIKeyKALAGNPMRKUDCC-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.33
Rot. Bonds5

About tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate

tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate (PubChem CID 171083364) has the molecular formula C18H26FNO5 and a molecular weight of 355.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate
PubChem CID171083364
Molecular FormulaC18H26FNO5
Molecular Weight355.41 g/mol
Exact Mass355.18
IUPAC Nametert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOc2cccc(O)c2F)CC1
InChIInChI=1S/C18H26FNO5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)23-11-12-24-15-6-4-5-14(21)16(15)19/h4-6,13,21H,7-12H2,1-3H3
InChIKeyKALAGNPMRKUDCC-UHFFFAOYSA-N
XLogP3.33
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171081523
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-(2-fluoro-3-nitrophenoxy)piperidine-1-carboxylate
CID 118429685
tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate
CID 135242997
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331
tert-butyl 4-[3-[(4-chlorophenyl)methyl]-2-fluorophenoxy]piperidine-1-carboxylate
CID 167388679
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate (CID 171083364) is tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOc2cccc(O)c2F)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate?
The InChIKey is KALAGNPMRKUDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)23-11-12-24-15-6-4-5-14(21)16(15)19/h4-6,13,21H,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate has a molecular weight of 355.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 171083364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).