tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate

C16H30N2O2 — CID 69023282

IUPACtert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)14(13-7-9-17-10-8-13)18-11-5-4-6-12-18/h13-14,17H,4-12H2,1-3H3
InChIKeyUYYVFTAWPUJXLR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds3

About tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate

tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate (PubChem CID 69023282) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate
PubChem CID69023282
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate
SMILESCC(C)(C)OC(=O)C(C1CCNCC1)N1CCCCC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)14(13-7-9-17-10-8-13)18-11-5-4-6-12-18/h13-14,17H,4-12H2,1-3H3
InChIKeyUYYVFTAWPUJXLR-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate 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-piperidin-1-yl-2-piperidin-4-ylacetate?
The IUPAC name of tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate (CID 69023282) is tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate.
What is the SMILES notation for tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate?
The canonical SMILES for tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate is CC(C)(C)OC(=O)C(C1CCNCC1)N1CCCCC1.
What is the InChIKey of tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate?
The InChIKey is UYYVFTAWPUJXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)14(13-7-9-17-10-8-13)18-11-5-4-6-12-18/h13-14,17H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate?
tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-piperidin-1-yl-2-piperidin-4-ylacetate is sourced from PubChem (CID 69023282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).