methyl 2-(4-methylpiperidin-1-yl)acetate

C9H17NO2 — CID 6422211

IUPACmethyl 2-(4-methylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(C)CC1
InChIInChI=1S/C9H17NO2/c1-8-3-5-10(6-4-8)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyFHGBJZGJGNTNDT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About methyl 2-(4-methylpiperidin-1-yl)acetate

methyl 2-(4-methylpiperidin-1-yl)acetate (PubChem CID 6422211) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-(4-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperidin-1-yl)acetate
PubChem CID6422211
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-(4-methylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(C)CC1
InChIInChI=1S/C9H17NO2/c1-8-3-5-10(6-4-8)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKeyFHGBJZGJGNTNDT-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(4-methylpiperidin-1-yl)acetate 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-(4-methylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-methylpiperidin-1-yl)acetate (CID 6422211) is methyl 2-(4-methylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-methylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-methylpiperidin-1-yl)acetate is COC(=O)CN1CCC(C)CC1.
What is the InChIKey of methyl 2-(4-methylpiperidin-1-yl)acetate?
The InChIKey is FHGBJZGJGNTNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8-3-5-10(6-4-8)7-9(11)12-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(4-methylpiperidin-1-yl)acetate?
methyl 2-(4-methylpiperidin-1-yl)acetate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 6422211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).