tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate

C17H24FNO3 — CID 169112217

IUPACtert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC[C@H](c2ccc(F)c(O)c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H24FNO3/c1-11-5-8-14(12-6-7-13(18)15(20)9-12)19(10-11)16(21)22-17(2,3)4/h6-7,9,11,14,20H,5,8,10H2,1-4H3/t11-,14+/m0/s1
InChIKeyRLQVZXGESKOLRI-SMDDNHRTSA-N
MW309.38 g/mol
LogP4.24
Rot. Bonds1

About tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate

tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate (PubChem CID 169112217) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate
PubChem CID169112217
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate
SMILESC[C@H]1CC[C@H](c2ccc(F)c(O)c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H24FNO3/c1-11-5-8-14(12-6-7-13(18)15(20)9-12)19(10-11)16(21)22-17(2,3)4/h6-7,9,11,14,20H,5,8,10H2,1-4H3/t11-,14+/m0/s1
InChIKeyRLQVZXGESKOLRI-SMDDNHRTSA-N
XLogP4.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 10060623
(S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2H-pyrrole-1(5H)-carboxamide
CID 15949839
(S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2,2-dimethylpropan-1-one
CID 44409718
3-[1-(4-Benzyl-piperazin-1-yl)-3-methyl-butyl]-phenol
CID 10716545
3-[(2-Fluorophenyl)methyl]-8-[(3-hydroxyphenyl)methyl]-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134808636
tert-Butyl 4-(4-hydroxyphenyl)piperidine-1-carboxylate
CID 19381871
3-(1,4-Dimethyl-3-propylpiperidin-2-yl)phenolato--hydrogen chlorido (1/1)
CID 71301272
Phenol, 3-(3-(1-methyl-3-propylpiperidinyl))-, hydrochloride
CID 71301393
tert-Butyl 5-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 10538586
Tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 10562576
Tert-butyl 3-(4-hydroxyphenyl)piperidine-1-carboxylate
CID 83404813
Tert-butyl 8-fluoro-6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 118681290

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate (CID 169112217) is tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate is C[C@H]1CC[C@H](c2ccc(F)c(O)c2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate?
The InChIKey is RLQVZXGESKOLRI-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-11-5-8-14(12-6-7-13(18)15(20)9-12)19(10-11)16(21)22-17(2,3)4/h6-7,9,11,14,20H,5,8,10H2,1-4H3/t11-,14+/m0/s1.
What are the key properties of tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate?
tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-2-(4-fluoro-3-hydroxyphenyl)-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 169112217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).