4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

C14H25ClN2O2 — CID 91812262

IUPAC4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCC(C)(C)N1CC2(CC3CCC(C2)N3)OCC1=O.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-13(2,3)16-9-14(18-8-12(16)17)6-10-4-5-11(7-14)15-10;/h10-11,15H,4-9H2,1-3H3;1H
InChIKeyNOJJHIJRDPIPPY-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.72
Rot. Bonds

About 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride

4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (PubChem CID 91812262) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.

Molecular Properties

Compound Name4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
PubChem CID91812262
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC Name4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride
SMILESCC(C)(C)N1CC2(CC3CCC(C2)N3)OCC1=O.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-13(2,3)16-9-14(18-8-12(16)17)6-10-4-5-11(7-14)15-10;/h10-11,15H,4-9H2,1-3H3;1H
InChIKeyNOJJHIJRDPIPPY-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The IUPAC name of 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride (CID 91812262) is 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride.
What is the SMILES notation for 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The canonical SMILES for 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is CC(C)(C)N1CC2(CC3CCC(C2)N3)OCC1=O.Cl.
What is the InChIKey of 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
The InChIKey is NOJJHIJRDPIPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c1-13(2,3)16-9-14(18-8-12(16)17)6-10-4-5-11(7-14)15-10;/h10-11,15H,4-9H2,1-3H3;1H.
What are the key properties of 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride?
4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-tert-butylspiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one;hydrochloride is sourced from PubChem (CID 91812262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).