methyl 2-piperidin-1-ylacetate

C8H15NO2 — CID 6421770

IUPACmethyl 2-piperidin-1-ylacetate
SMILESCOC(=O)CN1CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyREGWVSTWPUXKJS-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.65
Rot. Bonds2

About methyl 2-piperidin-1-ylacetate

methyl 2-piperidin-1-ylacetate (PubChem CID 6421770) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-piperidin-1-ylacetate
PubChem CID6421770
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-piperidin-1-ylacetate
SMILESCOC(=O)CN1CCCCC1
InChIInChI=1S/C8H15NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3
InChIKeyREGWVSTWPUXKJS-UHFFFAOYSA-N
XLogP0.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-piperidin-1-ylacetate 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-piperidin-1-ylacetate?
The IUPAC name of methyl 2-piperidin-1-ylacetate (CID 6421770) is methyl 2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-piperidin-1-ylacetate is COC(=O)CN1CCCCC1.
What is the InChIKey of methyl 2-piperidin-1-ylacetate?
The InChIKey is REGWVSTWPUXKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-8(10)7-9-5-3-2-4-6-9/h2-7H2,1H3.
What are the key properties of methyl 2-piperidin-1-ylacetate?
methyl 2-piperidin-1-ylacetate has a molecular weight of 157.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 6421770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).