methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate

C11H21NO3 — CID 78946871

IUPACmethyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,14)8-12-6-4-5-9(7-12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyQJGURPPXDFGQOM-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds3

About methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate

methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate (PubChem CID 78946871) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
PubChem CID78946871
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,14)8-12-6-4-5-9(7-12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyQJGURPPXDFGQOM-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381
methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
methyl 1-(cyclopentylmethyl)piperidine-3-carboxylate
CID 78921285
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl 1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylate
CID 79823137
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl 1-(2-hydroxy-2-methylpropanoyl)piperidine-3-carboxylate
CID 103430283

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate (CID 78946871) is methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate is COC(=O)C1CCCN(CC(C)(C)O)C1.
What is the InChIKey of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
The InChIKey is QJGURPPXDFGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,14)8-12-6-4-5-9(7-12)10(13)15-3/h9,14H,4-8H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate?
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 78946871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).