7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

C16H30N2O2 — CID 62123551

IUPAC7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1N1CCCC(C)C1C)OCCO2
InChIInChI=1S/C16H30N2O2/c1-12-5-4-8-18(13(12)2)15-11-16(19-9-10-20-16)7-6-14(15)17-3/h12-15,17H,4-11H2,1-3H3
InChIKeyNMLUVQWKJDDEEM-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.99
Rot. Bonds2

About 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62123551) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62123551
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCNC1CCC2(CC1N1CCCC(C)C1C)OCCO2
InChIInChI=1S/C16H30N2O2/c1-12-5-4-8-18(13(12)2)15-11-16(19-9-10-20-16)7-6-14(15)17-3/h12-15,17H,4-11H2,1-3H3
InChIKeyNMLUVQWKJDDEEM-UHFFFAOYSA-N
XLogP1.99
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine (CID 62123551) is 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is CNC1CCC2(CC1N1CCCC(C)C1C)OCCO2.
What is the InChIKey of 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is NMLUVQWKJDDEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-4-8-18(13(12)2)15-11-16(19-9-10-20-16)7-6-14(15)17-3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 282.43 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylpiperidin-1-yl)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).