tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate

C14H27NO2 — CID 58386260

IUPACtert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate
SMILESCC(C)N1CCCC(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyZIJJUZIJYSIDKU-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds3

About tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate

tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate (PubChem CID 58386260) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate
PubChem CID58386260
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate
SMILESCC(C)N1CCCC(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyZIJJUZIJYSIDKU-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate 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 2-(1-propan-2-ylpiperidin-3-yl)acetate?
The IUPAC name of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate (CID 58386260) is tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate is CC(C)N1CCCC(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate?
The InChIKey is ZIJJUZIJYSIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15-8-6-7-12(10-15)9-13(16)17-14(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate?
tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-propan-2-ylpiperidin-3-yl)acetate is sourced from PubChem (CID 58386260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).