tert-butyl 3-piperidin-4-yloxypropanoate

C12H23NO3 — CID 63871729

IUPACtert-butyl 3-piperidin-4-yloxypropanoate
SMILESCC(C)(C)OC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(14)6-9-15-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3
InChIKeyAYVGGDDBFOMAOD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl 3-piperidin-4-yloxypropanoate

tert-butyl 3-piperidin-4-yloxypropanoate (PubChem CID 63871729) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Nametert-butyl 3-piperidin-4-yloxypropanoate
PubChem CID63871729
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 3-piperidin-4-yloxypropanoate
SMILESCC(C)(C)OC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(14)6-9-15-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3
InChIKeyAYVGGDDBFOMAOD-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of tert-butyl 3-piperidin-4-yloxypropanoate (CID 63871729) is tert-butyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for tert-butyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for tert-butyl 3-piperidin-4-yloxypropanoate is CC(C)(C)OC(=O)CCOC1CCNCC1.
What is the InChIKey of tert-butyl 3-piperidin-4-yloxypropanoate?
The InChIKey is AYVGGDDBFOMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(14)6-9-15-10-4-7-13-8-5-10/h10,13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-piperidin-4-yloxypropanoate?
tert-butyl 3-piperidin-4-yloxypropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 63871729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).