tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate

C16H22FNO3 — CID 135194075

IUPACtert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)c(F)c2)CC1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-8-6-11(7-9-18)12-4-5-14(19)13(17)10-12/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyPEFVFIVOQCNYHA-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.65
Rot. Bonds1

About tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate

tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate (PubChem CID 135194075) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
PubChem CID135194075
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(O)c(F)c2)CC1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-8-6-11(7-9-18)12-4-5-14(19)13(17)10-12/h4-5,10-11,19H,6-9H2,1-3H3
InChIKeyPEFVFIVOQCNYHA-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-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
tert-butyl 4-(2,3-difluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 58149951
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate (CID 135194075) is tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(O)c(F)c2)CC1.
What is the InChIKey of tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate?
The InChIKey is PEFVFIVOQCNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,3)21-15(20)18-8-6-11(7-9-18)12-4-5-14(19)13(17)10-12/h4-5,10-11,19H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-fluoro-4-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-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 135194075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).