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

C17H36N2O — CID 171786154

IUPACethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
SMILESCC.CC.CN1CCC(OC2CC3(C2)CN(C)C3)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-14-5-3-11(4-6-14)16-12-7-13(8-12)9-15(2)10-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3
InChIKeyBALLKMXOIJCWDX-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.24
Rot. Bonds2

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

ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane (PubChem CID 171786154) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
PubChem CID171786154
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Nameethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane
SMILESCC.CC.CN1CCC(OC2CC3(C2)CN(C)C3)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-14-5-3-11(4-6-14)16-12-7-13(8-12)9-15(2)10-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3
InChIKeyBALLKMXOIJCWDX-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The IUPAC name of ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane (CID 171786154) is ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane.
What is the SMILES notation for ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The canonical SMILES for ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane is CC.CC.CN1CCC(OC2CC3(C2)CN(C)C3)CC1.
What is the InChIKey of ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
The InChIKey is BALLKMXOIJCWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.2C2H6/c1-14-5-3-11(4-6-14)16-12-7-13(8-12)9-15(2)10-13;2*1-2/h11-12H,3-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane?
ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane has a molecular weight of 284.49 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(1-methylpiperidin-4-yl)oxy-2-azaspiro[3.3]heptane is sourced from PubChem (CID 171786154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).