2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one

C30H60N8O4 — CID 158701632

About 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one

2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one (PubChem CID 158701632) has the molecular formula C30H60N8O4 and a molecular weight of 606.82 g/mol. Its IUPAC name is 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one.

Molecular Properties

• Compound Name: 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one
• PubChem CID: 158701632
• Molecular Formula: C30H60N8O4
• Molecular Weight: 606.82 g/mol
• Exact Mass: 606.48
• IUPAC Name: 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one
• SMILES: CC(=O)[13CH2][15N]1CC[15N](C)CC1.CC(=[18O])[13CH2]N1CCN(C)CC1.CN1CCN(CC=[18O])CC1.C[15N]1CC[15N](CC=O)CC1
• InChI: InChI=1S/2C8H16N2O.2C7H14N2O/c2*1-8(11)7-10-5-3-9(2)4-6-10;2*1-8-2-4-9(5-3-8)6-7-10/h2*3-7H2,1-2H3;2*7H,2-6H2,1H3/i7+1,9+1,10+1;7+1,11+2;8+1,9+1;10+2
• InChIKey: IHPPTTLFANZEJX-DBTNBQMWSA-N
• XLogP: -1.49
• TPSA: 94.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.82
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one?

The IUPAC name of 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one (CID 158701632) is 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one.

What is the SMILES notation for 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one?

The canonical SMILES for 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one is CC(=O)[13CH2][15N]1CC[15N](C)CC1.CC(=[18O])[13CH2]N1CCN(C)CC1.CN1CCN(CC=[18O])CC1.C[15N]1CC[15N](CC=O)CC1.

What is the InChIKey of 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one?

The InChIKey is IHPPTTLFANZEJX-DBTNBQMWSA-N. The full InChI is InChI=1S/2C8H16N2O.2C7H14N2O/c2*1-8(11)7-10-5-3-9(2)4-6-10;2*1-8-2-4-9(5-3-8)6-7-10/h2*3-7H2,1-2H3;2*7H,2-6H2,1H3/i7+1,9+1,10+1;7+1,11+2;8+1,9+1;10+2.

What are the key properties of 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one?

2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one has a molecular weight of 606.82 g/mol, XLogP of -1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)acetaldehyde;1-(4-methyl-(1,4-15N2)1,4-diazinan-1-yl)(113C)propan-2-one;2-(4-methylpiperazin-1-yl)acetaldehyde;1-(4-methylpiperazin-1-yl)(113C)propan-2-(18O)one is sourced from PubChem (CID 158701632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).