tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate

C17H24FNO3 — CID 83855819

IUPACtert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(18)12-4-6-14(20)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyNWHGSKMHVNWINB-UHFFFAOYSA-N
MW309.38 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate

tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate (PubChem CID 83855819) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate
PubChem CID83855819
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(18)12-4-6-14(20)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3
InChIKeyNWHGSKMHVNWINB-UHFFFAOYSA-N
XLogP4.05
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-hydroxy-1-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 143382792
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
4-[fluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855983
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-[hydroxy-(6-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;ethane
CID 163385940
tert-butyl 4-[1-(4-bromophenyl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
CID 121454620
tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
tert-butyl 4-[2-amino-1-(4-bromophenyl)-2-oxoethyl]piperidine-1-carboxylate
CID 121454648
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate (CID 83855819) is tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(F)c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is NWHGSKMHVNWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(18)12-4-6-14(20)7-5-12/h4-7,13,15,20H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[fluoro-(4-hydroxyphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 83855819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).