methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride

C9H20Cl2N2O2 — CID 22378095

IUPACmethyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride
SMILESCOC(=O)CN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-11(7-9(12)13-2)8-3-5-10-6-4-8;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyYIGUMHKVLZTUOO-UHFFFAOYSA-N
MW259.18 g/mol
LogP0.69
Rot. Bonds3

About methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride

methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride (PubChem CID 22378095) has the molecular formula C9H20Cl2N2O2 and a molecular weight of 259.18 g/mol. Its IUPAC name is methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride.

Molecular Properties

Compound Namemethyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride
PubChem CID22378095
Molecular FormulaC9H20Cl2N2O2
Molecular Weight259.18 g/mol
Exact Mass258.09
IUPAC Namemethyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride
SMILESCOC(=O)CN(C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C9H18N2O2.2ClH/c1-11(7-9(12)13-2)8-3-5-10-6-4-8;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyYIGUMHKVLZTUOO-UHFFFAOYSA-N
XLogP0.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride 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 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride?
The IUPAC name of methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride (CID 22378095) is methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride.
What is the SMILES notation for methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride?
The canonical SMILES for methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride is COC(=O)CN(C)C1CCNCC1.Cl.Cl.
What is the InChIKey of methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride?
The InChIKey is YIGUMHKVLZTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.2ClH/c1-11(7-9(12)13-2)8-3-5-10-6-4-8;;/h8,10H,3-7H2,1-2H3;2*1H.
What are the key properties of methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride?
methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride has a molecular weight of 259.18 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(piperidin-4-yl)amino]acetate;dihydrochloride is sourced from PubChem (CID 22378095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).