methyl 6-methylpiperidine-3-carboxylate

C8H15NO2 — CID 42628698

IUPACmethyl 6-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C)NC1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyAJUGGHOVBBTHCD-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About methyl 6-methylpiperidine-3-carboxylate

methyl 6-methylpiperidine-3-carboxylate (PubChem CID 42628698) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 6-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methylpiperidine-3-carboxylate
PubChem CID42628698
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 6-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CCC(C)NC1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKeyAJUGGHOVBBTHCD-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 6-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 6-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 6-methylpiperidine-3-carboxylate (CID 42628698) is methyl 6-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 6-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 6-methylpiperidine-3-carboxylate is COC(=O)C1CCC(C)NC1.
What is the InChIKey of methyl 6-methylpiperidine-3-carboxylate?
The InChIKey is AJUGGHOVBBTHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3.
What are the key properties of methyl 6-methylpiperidine-3-carboxylate?
methyl 6-methylpiperidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methylpiperidine-3-carboxylate is sourced from PubChem (CID 42628698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).