2-(methylaminomethyl)piperazine-1-carbaldehyde

C7H15N3O — CID 144913960

IUPAC2-(methylaminomethyl)piperazine-1-carbaldehyde
SMILESCNCC1CNCCN1C=O
InChIInChI=1S/C7H15N3O/c1-8-4-7-5-9-2-3-10(7)6-11/h6-9H,2-5H2,1H3
InChIKeyQHUTZIHYLAZXRL-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.36
Rot. Bonds3

About 2-(methylaminomethyl)piperazine-1-carbaldehyde

2-(methylaminomethyl)piperazine-1-carbaldehyde (PubChem CID 144913960) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(methylaminomethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(methylaminomethyl)piperazine-1-carbaldehyde
PubChem CID144913960
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(methylaminomethyl)piperazine-1-carbaldehyde
SMILESCNCC1CNCCN1C=O
InChIInChI=1S/C7H15N3O/c1-8-4-7-5-9-2-3-10(7)6-11/h6-9H,2-5H2,1H3
InChIKeyQHUTZIHYLAZXRL-UHFFFAOYSA-N
XLogP-1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(methylaminomethyl)piperazine-1-carbaldehyde (CID 144913960) is 2-(methylaminomethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(methylaminomethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(methylaminomethyl)piperazine-1-carbaldehyde is CNCC1CNCCN1C=O.
What is the InChIKey of 2-(methylaminomethyl)piperazine-1-carbaldehyde?
The InChIKey is QHUTZIHYLAZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-4-7-5-9-2-3-10(7)6-11/h6-9H,2-5H2,1H3.
What are the key properties of 2-(methylaminomethyl)piperazine-1-carbaldehyde?
2-(methylaminomethyl)piperazine-1-carbaldehyde has a molecular weight of 157.22 g/mol, XLogP of -1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 144913960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).