6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane

C12H22N2O — CID 176878935

IUPAC6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
SMILESCN1CCC(OC2CC3(CNC3)C2)CC1
InChIInChI=1S/C12H22N2O/c1-14-4-2-10(3-5-14)15-11-6-12(7-11)8-13-9-12/h10-11,13H,2-9H2,1H3
InChIKeyIYGUEKZPKXYHKK-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.85
Rot. Bonds2

About 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane

6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane (PubChem CID 176878935) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
PubChem CID176878935
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
SMILESCN1CCC(OC2CC3(CNC3)C2)CC1
InChIInChI=1S/C12H22N2O/c1-14-4-2-10(3-5-14)15-11-6-12(7-11)8-13-9-12/h10-11,13H,2-9H2,1H3
InChIKeyIYGUEKZPKXYHKK-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The IUPAC name of 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane (CID 176878935) is 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane is CN1CCC(OC2CC3(CNC3)C2)CC1.
What is the InChIKey of 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The InChIKey is IYGUEKZPKXYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-14-4-2-10(3-5-14)15-11-6-12(7-11)8-13-9-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane has a molecular weight of 210.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane is sourced from PubChem (CID 176878935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).