methyl 5-methylpiperidine-3-carboxylate;hydrochloride

C8H16ClNO2 — CID 75464874

IUPACmethyl 5-methylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(C)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-4-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyJWBUUGGYBZEBNC-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.83
Rot. Bonds1

About methyl 5-methylpiperidine-3-carboxylate;hydrochloride

methyl 5-methylpiperidine-3-carboxylate;hydrochloride (PubChem CID 75464874) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 5-methylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-methylpiperidine-3-carboxylate;hydrochloride
PubChem CID75464874
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 5-methylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(C)C1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-4-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyJWBUUGGYBZEBNC-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-methylpiperidine-3-carboxylate;hydrochloride 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 5-methylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-methylpiperidine-3-carboxylate;hydrochloride (CID 75464874) is methyl 5-methylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-methylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-methylpiperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC(C)C1.Cl.
What is the InChIKey of methyl 5-methylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is JWBUUGGYBZEBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-4-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of methyl 5-methylpiperidine-3-carboxylate;hydrochloride?
methyl 5-methylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 75464874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).