tert-butyl 2-piperidin-4-ylacetate

C11H21NO2 — CID 23511620

IUPACtert-butyl 2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)CC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyHIAIZEPNWNXJBP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds2

About tert-butyl 2-piperidin-4-ylacetate

tert-butyl 2-piperidin-4-ylacetate (PubChem CID 23511620) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-piperidin-4-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-piperidin-4-ylacetate
PubChem CID23511620
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)CC1CCNCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyHIAIZEPNWNXJBP-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-piperidin-4-ylacetate?
The IUPAC name of tert-butyl 2-piperidin-4-ylacetate (CID 23511620) is tert-butyl 2-piperidin-4-ylacetate.
What is the SMILES notation for tert-butyl 2-piperidin-4-ylacetate?
The canonical SMILES for tert-butyl 2-piperidin-4-ylacetate is CC(C)(C)OC(=O)CC1CCNCC1.
What is the InChIKey of tert-butyl 2-piperidin-4-ylacetate?
The InChIKey is HIAIZEPNWNXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-piperidin-4-ylacetate?
tert-butyl 2-piperidin-4-ylacetate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-piperidin-4-ylacetate is sourced from PubChem (CID 23511620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).