1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium

C14H28N2+2 — CID 4677781

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium
SMILESCC(C)[NH+]1CC[NH+](C2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/p+2
InChIKeyZKNGMOFSLSZLST-UHFFFAOYSA-P
MW224.39 g/mol
LogP-0.63
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium

1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium (PubChem CID 4677781) has the molecular formula C14H28N2+2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium
PubChem CID4677781
Molecular FormulaC14H28N2+2
Molecular Weight224.39 g/mol
Exact Mass224.22
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium
SMILESCC(C)[NH+]1CC[NH+](C2CC3CCC2C3)CC1
InChIInChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/p+2
InChIKeyZKNGMOFSLSZLST-UHFFFAOYSA-P
XLogP-0.63
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium (CID 4677781) is 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium is CC(C)[NH+]1CC[NH+](C2CC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium?
The InChIKey is ZKNGMOFSLSZLST-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H26N2/c1-11(2)15-5-7-16(8-6-15)14-10-12-3-4-13(14)9-12/h11-14H,3-10H2,1-2H3/p+2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium?
1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium has a molecular weight of 224.39 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-4-propan-2-ylpiperazine-1,4-diium is sourced from PubChem (CID 4677781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).