tert-butyl 3-piperidin-4-ylpropanoate

C12H23NO2 — CID 62217044

IUPACtert-butyl 3-piperidin-4-ylpropanoate
SMILESCC(C)(C)OC(=O)CCC1CCNCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)5-4-10-6-8-13-9-7-10/h10,13H,4-9H2,1-3H3
InChIKeyXIFYQVRZWPGXAU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl 3-piperidin-4-ylpropanoate

tert-butyl 3-piperidin-4-ylpropanoate (PubChem CID 62217044) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 3-piperidin-4-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 3-piperidin-4-ylpropanoate
PubChem CID62217044
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 3-piperidin-4-ylpropanoate
SMILESCC(C)(C)OC(=O)CCC1CCNCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)5-4-10-6-8-13-9-7-10/h10,13H,4-9H2,1-3H3
InChIKeyXIFYQVRZWPGXAU-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-piperidin-4-ylpropanoate 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 tert-butyl 3-piperidin-4-ylpropanoate?
The IUPAC name of tert-butyl 3-piperidin-4-ylpropanoate (CID 62217044) is tert-butyl 3-piperidin-4-ylpropanoate.
What is the SMILES notation for tert-butyl 3-piperidin-4-ylpropanoate?
The canonical SMILES for tert-butyl 3-piperidin-4-ylpropanoate is CC(C)(C)OC(=O)CCC1CCNCC1.
What is the InChIKey of tert-butyl 3-piperidin-4-ylpropanoate?
The InChIKey is XIFYQVRZWPGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)5-4-10-6-8-13-9-7-10/h10,13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-piperidin-4-ylpropanoate?
tert-butyl 3-piperidin-4-ylpropanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-piperidin-4-ylpropanoate is sourced from PubChem (CID 62217044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).