tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate

C11H21NO3 — CID 86601016

IUPACtert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NCCCC1(C)O
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)8-11(4,14)6-5-7-12-8/h8,12,14H,5-7H2,1-4H3
InChIKeyHXYGPNPGBFUINW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds1

About tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate

tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate (PubChem CID 86601016) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate
PubChem CID86601016
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NCCCC1(C)O
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-9(13)8-11(4,14)6-5-7-12-8/h8,12,14H,5-7H2,1-4H3
InChIKeyHXYGPNPGBFUINW-UHFFFAOYSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-hydroxy-3-methylpiperidine-2-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 (3S)-2,2-dimethylthiomorpholine-3-carboxylate
CID 12985820
tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
tert-butyl 2-azaspiro[3.4]octane-3-carboxylate;hydrochloride
CID 146049305
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
ethyl 3-hydroxy-3-methylpyrrolidine-2-carboxylate
CID 10877618
tert-butyl (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
CID 67403070
3-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]azocane-2-carboxylic acid
CID 54473125
tert-butyl (3R)-2,6-diazaspiro[3.3]heptane-3-carboxylate
CID 98001465
1-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175904413
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
tert-butyl (1S,4aR,9aR)-9a-hydroxy-4a-methyl-5-oxo-1,2,3,4,6,7,8,9-octahydrobenzo[7]annulene-1-carboxylate
CID 25258079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate (CID 86601016) is tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate is CC(C)(C)OC(=O)C1NCCCC1(C)O.
What is the InChIKey of tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate?
The InChIKey is HXYGPNPGBFUINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-9(13)8-11(4,14)6-5-7-12-8/h8,12,14H,5-7H2,1-4H3.
What are the key properties of tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate?
tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-methylpiperidine-2-carboxylate is sourced from PubChem (CID 86601016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).