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

C11H21NO3 — CID 78927348

IUPACmethyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO3/c1-11(2,14)8-12-7-5-4-6-9(12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyBKOFTEACTCZJNZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds3

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

methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate (PubChem CID 78927348) 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-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
PubChem CID78927348
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(C)(C)O
InChIInChI=1S/C11H21NO3/c1-11(2,14)8-12-7-5-4-6-9(12)10(13)15-3/h9,14H,4-8H2,1-3H3
InChIKeyBKOFTEACTCZJNZ-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-hydroxy-2-methylpropyl)piperidine-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

1-[1-(2-hydroxy-2-methylpropyl)piperidin-2-yl]ethanone
CID 63844987
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
CID 115537592
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 3-(2-acetylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79624509
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate (CID 78927348) is methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CC(C)(C)O.
What is the InChIKey of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate?
The InChIKey is BKOFTEACTCZJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,14)8-12-7-5-4-6-9(12)10(13)15-3/h9,14H,4-8H2,1-3H3.
What are the key properties of methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate?
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 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-2-carboxylate is sourced from PubChem (CID 78927348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).