methyl 4-hydroxy-3-methylpiperidine-3-carboxylate

C8H15NO3 — CID 66976940

IUPACmethyl 4-hydroxy-3-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1(C)CNCCC1O
InChIInChI=1S/C8H15NO3/c1-8(7(11)12-2)5-9-4-3-6(8)10/h6,9-10H,3-5H2,1-2H3
InChIKeyQZNNHVUQJUDSDS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.48
Rot. Bonds1

About methyl 4-hydroxy-3-methylpiperidine-3-carboxylate

methyl 4-hydroxy-3-methylpiperidine-3-carboxylate (PubChem CID 66976940) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-hydroxy-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-methylpiperidine-3-carboxylate
PubChem CID66976940
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-hydroxy-3-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1(C)CNCCC1O
InChIInChI=1S/C8H15NO3/c1-8(7(11)12-2)5-9-4-3-6(8)10/h6,9-10H,3-5H2,1-2H3
InChIKeyQZNNHVUQJUDSDS-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-hydroxy-3-methylpiperidine-3-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

trans-methyl (1S,2R)-2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 126686787
methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylate;hydrochloride
CID 121207588
3-methylpiperidine-3,4-diol
CID 70672277
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl (1S,5S,8R)-8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 130985038
methyl (3S,4R)-3-methyl-4-prop-2-enylpyrrolidine-3-carboxylate
CID 163446340
methyl (1S,2R,4S)-2-methylbicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 134991240
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
(3,3-dimethylpiperidin-4-yl) N-methylcarbamate
CID 130533515
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
methyl 2,3,4,4a,5,6-hexahydro-1H-isoquinoline-8a-carboxylate
CID 141136777
methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate
CID 175554866

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-3-methylpiperidine-3-carboxylate (CID 66976940) is methyl 4-hydroxy-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-3-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-3-methylpiperidine-3-carboxylate is COC(=O)C1(C)CNCCC1O.
What is the InChIKey of methyl 4-hydroxy-3-methylpiperidine-3-carboxylate?
The InChIKey is QZNNHVUQJUDSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(7(11)12-2)5-9-4-3-6(8)10/h6,9-10H,3-5H2,1-2H3.
What are the key properties of methyl 4-hydroxy-3-methylpiperidine-3-carboxylate?
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 66976940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).