tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate

C19H26FNO5 — CID 67528811

IUPACtert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate
SMILESCC(=O)OCc1cc(F)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26FNO5/c1-13(22)24-12-14-11-15(20)5-6-17(14)25-16-7-9-21(10-8-16)18(23)26-19(2,3)4/h5-6,11,16H,7-10,12H2,1-4H3
InChIKeyRVLZZAHAVNGNJI-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate

tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate (PubChem CID 67528811) has the molecular formula C19H26FNO5 and a molecular weight of 367.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate
PubChem CID67528811
Molecular FormulaC19H26FNO5
Molecular Weight367.42 g/mol
Exact Mass367.18
IUPAC Nametert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate
SMILESCC(=O)OCc1cc(F)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26FNO5/c1-13(22)24-12-14-11-15(20)5-6-17(14)25-16-7-9-21(10-8-16)18(23)26-19(2,3)4/h5-6,11,16H,7-10,12H2,1-4H3
InChIKeyRVLZZAHAVNGNJI-UHFFFAOYSA-N
XLogP3.67
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-fluoro-2-isocyanatophenoxy)piperidine-1-carboxylate
CID 169353985
tert-butyl 4-[(2-chloro-4-fluorophenyl)methoxy]piperidine-1-carboxylate
CID 118110637
tert-butyl 4-[2-[(4-chloro-2-fluorophenyl)methyl]phenoxy]piperidine-1-carboxylate
CID 167388812
tert-butyl 4-[2-[2-(dicyanomethylidene)hydrazinyl]-4-fluorophenoxy]piperidine-1-carboxylate
CID 169339798
tert-butyl 4-[4-fluoro-2-(hydroxymethyl)phenyl]piperidine-1-carboxylate
CID 59327647
tert-butyl 3-(4-fluoro-2-nitrophenoxy)pyrrolidine-1-carboxylate
CID 75993955
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
CID 18542592
tert-butyl 4-[4-fluoro-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]piperidine-1-carboxylate
CID 168559188
tert-butyl 4-[3-[(4-chlorophenyl)methyl]-2-fluorophenoxy]piperidine-1-carboxylate
CID 167388679
tert-butyl 3-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluorophenoxy]pyrrolidine-1-carboxylate
CID 168639142

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate (CID 67528811) is tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate is CC(=O)OCc1cc(F)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate?
The InChIKey is RVLZZAHAVNGNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO5/c1-13(22)24-12-14-11-15(20)5-6-17(14)25-16-7-9-21(10-8-16)18(23)26-19(2,3)4/h5-6,11,16H,7-10,12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 67528811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).