1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane

C16H31N3 — CID 54137027

IUPAC1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCN1CCC(N2CCN(C)C3(CCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c1-17-10-6-15(7-11-17)19-13-12-18(2)16(14-19)8-4-3-5-9-16/h15H,3-14H2,1-2H3
InChIKeyNYLIBMZWRYSOQK-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.03
Rot. Bonds1

About 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane

1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 54137027) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID54137027
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCN1CCC(N2CCN(C)C3(CCCCC3)C2)CC1
InChIInChI=1S/C16H31N3/c1-17-10-6-15(7-11-17)19-13-12-18(2)16(14-19)8-4-3-5-9-16/h15H,3-14H2,1-2H3
InChIKeyNYLIBMZWRYSOQK-UHFFFAOYSA-N
XLogP2.03
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane (CID 54137027) is 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane is CN1CCC(N2CCN(C)C3(CCCCC3)C2)CC1.
What is the InChIKey of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is NYLIBMZWRYSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-17-10-6-15(7-11-17)19-13-12-18(2)16(14-19)8-4-3-5-9-16/h15H,3-14H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane?
1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 265.44 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylpiperidin-4-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 54137027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).