2,2-dimethylpropyl 2-piperidin-1-ylacetate

C12H23NO2 — CID 58341565

IUPAC2,2-dimethylpropyl 2-piperidin-1-ylacetate
SMILESCC(C)(C)COC(=O)CN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10-15-11(14)9-13-7-5-4-6-8-13/h4-10H2,1-3H3
InChIKeyGODWSURDWCJBRH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds3

About 2,2-dimethylpropyl 2-piperidin-1-ylacetate

2,2-dimethylpropyl 2-piperidin-1-ylacetate (PubChem CID 58341565) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethylpropyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2,2-dimethylpropyl 2-piperidin-1-ylacetate
PubChem CID58341565
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethylpropyl 2-piperidin-1-ylacetate
SMILESCC(C)(C)COC(=O)CN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)10-15-11(14)9-13-7-5-4-6-8-13/h4-10H2,1-3H3
InChIKeyGODWSURDWCJBRH-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 2-piperidin-1-ylacetate?
The IUPAC name of 2,2-dimethylpropyl 2-piperidin-1-ylacetate (CID 58341565) is 2,2-dimethylpropyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 2,2-dimethylpropyl 2-piperidin-1-ylacetate?
The canonical SMILES for 2,2-dimethylpropyl 2-piperidin-1-ylacetate is CC(C)(C)COC(=O)CN1CCCCC1.
What is the InChIKey of 2,2-dimethylpropyl 2-piperidin-1-ylacetate?
The InChIKey is GODWSURDWCJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)10-15-11(14)9-13-7-5-4-6-8-13/h4-10H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 2-piperidin-1-ylacetate?
2,2-dimethylpropyl 2-piperidin-1-ylacetate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 58341565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).