tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C17H30N2O3 — CID 70661546

IUPACtert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(OC1CCNCC1)C2
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-12-4-5-13(19)11-15(10-12)21-14-6-8-18-9-7-14/h12-15,18H,4-11H2,1-3H3/t12-,13+,15?
InChIKeyXGFGIGCCYPNJBY-NNQSOWQGSA-N
MW310.44 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 70661546) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID70661546
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(OC1CCNCC1)C2
InChIInChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-12-4-5-13(19)11-15(10-12)21-14-6-8-18-9-7-14/h12-15,18H,4-11H2,1-3H3/t12-,13+,15?
InChIKeyXGFGIGCCYPNJBY-NNQSOWQGSA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate 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 (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 70661546) is tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(OC1CCNCC1)C2.
What is the InChIKey of tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is XGFGIGCCYPNJBY-NNQSOWQGSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-17(2,3)22-16(20)19-12-4-5-13(19)11-15(10-12)21-14-6-8-18-9-7-14/h12-15,18H,4-11H2,1-3H3/t12-,13+,15?.
What are the key properties of tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 70661546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).