tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate

C16H21F2NO3 — CID 58149951

IUPACtert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C16H21F2NO3/c1-16(2,3)22-15(21)19-8-6-10(7-9-19)13-12(20)5-4-11(17)14(13)18/h4-5,10,20H,6-9H2,1-3H3
InChIKeyADUMUJVGSPBEHP-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.78
Rot. Bonds1

About tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate (PubChem CID 58149951) has the molecular formula C16H21F2NO3 and a molecular weight of 313.34 g/mol. Its IUPAC name is tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
PubChem CID58149951
Molecular FormulaC16H21F2NO3
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Nametert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C16H21F2NO3/c1-16(2,3)22-15(21)19-8-6-10(7-9-19)13-12(20)5-4-11(17)14(13)18/h4-5,10,20H,6-9H2,1-3H3
InChIKeyADUMUJVGSPBEHP-UHFFFAOYSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
tert-butyl (3R)-3-(2,3,6-trifluorophenyl)pyrrolidine-1-carboxylate
CID 174955976
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-(4-amino-2-fluoro-6-methoxyphenyl)piperidine-1-carboxylate
CID 166168193
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-[2-hydroxy-4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118550893
tert-butyl 1-(difluoromethyl)-5-fluoro-8-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 175848311

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate (CID 58149951) is tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2c(O)ccc(F)c2F)CC1.
What is the InChIKey of tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is ADUMUJVGSPBEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO3/c1-16(2,3)22-15(21)19-8-6-10(7-9-19)13-12(20)5-4-11(17)14(13)18/h4-5,10,20H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate has a molecular weight of 313.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 58149951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).