tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate

C14H27NO4 — CID 70848320

IUPACtert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
SMILESCC(C)(O)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO4/c1-13(2,3)19-12(16)15-8-6-11(7-9-15)18-10-14(4,5)17/h11,17H,6-10H2,1-5H3
InChIKeyVQMHZSLAYAMTQG-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.17
Rot. Bonds3

About tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate (PubChem CID 70848320) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
PubChem CID70848320
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
SMILESCC(C)(O)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H27NO4/c1-13(2,3)19-12(16)15-8-6-11(7-9-15)18-10-14(4,5)17/h11,17H,6-10H2,1-5H3
InChIKeyVQMHZSLAYAMTQG-UHFFFAOYSA-N
XLogP2.17
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(2-hydroxy-2-methylpropoxy)pyrrolidine-1-carboxylate
CID 70848392
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl (3S,4S)-3-fluoro-4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 156538686
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-but-2-ynoxypiperidine-1-carboxylate
CID 154957626
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
CID 143388075
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate (CID 70848320) is tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate is CC(C)(O)COC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
The InChIKey is VQMHZSLAYAMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)15-8-6-11(7-9-15)18-10-14(4,5)17/h11,17H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 70848320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).