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

C13H25N3 — CID 70996973

IUPAC2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C13H25N3/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2/h11-13H,3-10H2,1-2H3
InChIKeySEQYPZXBTJJUDV-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.86
Rot. Bonds2

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

2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 70996973) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID70996973
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C13H25N3/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2/h11-13H,3-10H2,1-2H3
InChIKeySEQYPZXBTJJUDV-UHFFFAOYSA-N
XLogP0.86
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 70996973) is 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CCN1CCC(N2CC3CC2CN3C)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is SEQYPZXBTJJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 70996973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).