tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate

C11H21NO3 — CID 118535016

IUPACtert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C11H21NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyPSDMSGJMWVMEMV-YGPZHTELSA-N
MW215.29 g/mol
LogP1.62
Rot. Bonds

About tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate

tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate (PubChem CID 118535016) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
PubChem CID118535016
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C11H21NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1
InChIKeyPSDMSGJMWVMEMV-YGPZHTELSA-N
XLogP1.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
tert-butyl (3S,4R)-4-hydroxy-3-propan-2-ylpiperidine-1-carboxylate
CID 155905155
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
tert-butyl 3-cyano-4-hydroxypiperidine-1-carboxylate
CID 83670143
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (4aS,6S,7R,8aR)-6,7-dihydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 86338160

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate (CID 118535016) is tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)CC[C@H]1O.
What is the InChIKey of tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The InChIKey is PSDMSGJMWVMEMV-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-7-12(6-5-9(8)13)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate?
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 118535016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).