2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane

C12H23N3 — CID 59229858

IUPAC2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C12H23N3/c1-13-5-3-10(4-6-13)15-9-11-7-12(15)8-14(11)2/h10-12H,3-9H2,1-2H3
InChIKeyFRNRLLDFPZFMIF-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.47
Rot. Bonds1

About 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 59229858) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID59229858
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C12H23N3/c1-13-5-3-10(4-6-13)15-9-11-7-12(15)8-14(11)2/h10-12H,3-9H2,1-2H3
InChIKeyFRNRLLDFPZFMIF-UHFFFAOYSA-N
XLogP0.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 59229858) is 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane is CN1CCC(N2CC3CC2CN3C)CC1.
What is the InChIKey of 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is FRNRLLDFPZFMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-5-3-10(4-6-13)15-9-11-7-12(15)8-14(11)2/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 209.34 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 59229858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).