4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde

C12H18N4O — CID 102544924

IUPAC4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc(CN)cnc1N1CCN(C=O)CC1
InChIInChI=1S/C12H18N4O/c1-10-6-11(7-13)8-14-12(10)16-4-2-15(9-17)3-5-16/h6,8-9H,2-5,7,13H2,1H3
InChIKeyZJHZXXRNMZBRFS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.13
Rot. Bonds3

About 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde

4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 102544924) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
PubChem CID102544924
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc(CN)cnc1N1CCN(C=O)CC1
InChIInChI=1S/C12H18N4O/c1-10-6-11(7-13)8-14-12(10)16-4-2-15(9-17)3-5-16/h6,8-9H,2-5,7,13H2,1H3
InChIKeyZJHZXXRNMZBRFS-UHFFFAOYSA-N
XLogP0.13
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde (CID 102544924) is 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde is Cc1cc(CN)cnc1N1CCN(C=O)CC1.
What is the InChIKey of 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is ZJHZXXRNMZBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10-6-11(7-13)8-14-12(10)16-4-2-15(9-17)3-5-16/h6,8-9H,2-5,7,13H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 102544924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).