methyl 4-hydroxy-1-methylpiperidine-3-carboxylate

C8H15NO3 — CID 3029557

IUPACmethyl 4-hydroxy-1-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1O
InChIInChI=1S/C8H15NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6-7,10H,3-5H2,1-2H3
InChIKeyNNCYQJJMEIPJOH-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.53
Rot. Bonds1

About methyl 4-hydroxy-1-methylpiperidine-3-carboxylate

methyl 4-hydroxy-1-methylpiperidine-3-carboxylate (PubChem CID 3029557) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 4-hydroxy-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-methylpiperidine-3-carboxylate
PubChem CID3029557
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 4-hydroxy-1-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CCC1O
InChIInChI=1S/C8H15NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6-7,10H,3-5H2,1-2H3
InChIKeyNNCYQJJMEIPJOH-UHFFFAOYSA-N
XLogP-0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-hydroxy-1-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

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-methylpiperidine-3-carboxylate (CID 3029557) is methyl 4-hydroxy-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-methylpiperidine-3-carboxylate is COC(=O)C1CN(C)CCC1O.
What is the InChIKey of methyl 4-hydroxy-1-methylpiperidine-3-carboxylate?
The InChIKey is NNCYQJJMEIPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-4-3-7(10)6(5-9)8(11)12-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-methylpiperidine-3-carboxylate?
methyl 4-hydroxy-1-methylpiperidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 3029557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).