tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate

C16H22FNO3 — CID 53485826

IUPACtert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(O)cccc2F)CC1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-9-7-11(8-10-18)14-12(17)5-4-6-13(14)19/h4-6,11,19H,7-10H2,1-3H3
InChIKeyCMSDEXYWZHZUFX-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate (PubChem CID 53485826) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
PubChem CID53485826
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(O)cccc2F)CC1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-9-7-11(8-10-18)14-12(17)5-4-6-13(14)19/h4-6,11,19H,7-10H2,1-3H3
InChIKeyCMSDEXYWZHZUFX-UHFFFAOYSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl (3R)-3-(2,3,6-trifluorophenyl)pyrrolidine-1-carboxylate
CID 174955976
tert-butyl 4-(2-amino-6-methylphenyl)piperidine-1-carboxylate
CID 121426164
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-fluoro-6-formylphenyl)piperidine-1-carboxylate;tert-butyl 4-[2-fluoro-6-[methoxy(methyl)carbamoyl]phenyl]piperidine-1-carboxylate
CID 161104417
tert-butyl 4-(2-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 118159157
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 3-(2,6-difluorobenzoyl)pyrrolidine-1-carboxylate
CID 107091983
tert-butyl 4-[(2-chloro-3-fluorophenyl)methyl]piperidine-1-carboxylate
CID 167313825

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate (CID 53485826) is tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(O)cccc2F)CC1.
What is the InChIKey of tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is CMSDEXYWZHZUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-9-7-11(8-10-18)14-12(17)5-4-6-13(14)19/h4-6,11,19H,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 53485826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).