tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate

C17H24FNO3 — CID 132919078

IUPACtert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc([C@H]2C[C@@H](F)[C@H](O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24FNO3/c1-11-5-7-12(8-6-11)14-9-13(18)15(20)10-19(14)16(21)22-17(2,3)4/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyDXUNAXHOCDLLEF-RBSFLKMASA-N
MW309.38 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate

tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate (PubChem CID 132919078) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate
PubChem CID132919078
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Nametert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate
SMILESCc1ccc([C@H]2C[C@@H](F)[C@H](O)CN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H24FNO3/c1-11-5-7-12(8-6-11)14-9-13(18)15(20)10-19(14)16(21)22-17(2,3)4/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14-,15-/m1/s1
InChIKeyDXUNAXHOCDLLEF-RBSFLKMASA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-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

9-hydroxy-3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995930
3-[(1S)-1-(4-fluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996040
9-hydroxy-3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996317
9-hydroxy-3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996398
9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996503
3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996763
3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996770
3-[(1S)-1-(3,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996792
3-[(1S)-1-(4-tert-butylphenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67997066
3-[(1S)-1-(2,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 68150313
9-hydroxy-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 70497120
tert-butyl (3S)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 53811416

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate (CID 132919078) is tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate is Cc1ccc([C@H]2C[C@@H](F)[C@H](O)CN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate?
The InChIKey is DXUNAXHOCDLLEF-RBSFLKMASA-N. The full InChI is InChI=1S/C17H24FNO3/c1-11-5-7-12(8-6-11)14-9-13(18)15(20)10-19(14)16(21)22-17(2,3)4/h5-8,13-15,20H,9-10H2,1-4H3/t13-,14-,15-/m1/s1.
What are the key properties of tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate?
tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate has a molecular weight of 309.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R,5R)-4-fluoro-5-hydroxy-2-(4-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 132919078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).