2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane

C12H23N3 — CID 84780919

IUPAC2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3
InChIKeyUAETVVANGXVPJL-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.37
Rot. Bonds2

About 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 84780919) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID84780919
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CCNCC1
InChIInChI=1S/C12H23N3/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3
InChIKeyUAETVVANGXVPJL-UHFFFAOYSA-N
XLogP0.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 84780919) is 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2CC1CCNCC1.
What is the InChIKey of 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is UAETVVANGXVPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-14-8-12-6-11(14)9-15(12)7-10-2-4-13-5-3-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 209.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 84780919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).