4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde

C12H18N4O — CID 174688930

IUPAC4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde
SMILESCN1CCN(Cc2ccc(N)cn2)CC1C=O
InChIInChI=1S/C12H18N4O/c1-15-4-5-16(8-12(15)9-17)7-11-3-2-10(13)6-14-11/h2-3,6,9,12H,4-5,7-8,13H2,1H3
InChIKeyWLOYYRGXUBRAGJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.02
Rot. Bonds3

About 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde

4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde (PubChem CID 174688930) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde
PubChem CID174688930
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde
SMILESCN1CCN(Cc2ccc(N)cn2)CC1C=O
InChIInChI=1S/C12H18N4O/c1-15-4-5-16(8-12(15)9-17)7-11-3-2-10(13)6-14-11/h2-3,6,9,12H,4-5,7-8,13H2,1H3
InChIKeyWLOYYRGXUBRAGJ-UHFFFAOYSA-N
XLogP-0.02
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
4-[(4-amino-2-pyridinyl)methyl]-1-ethylpiperazine-2-carbaldehyde
CID 174610895
6-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-3-amine
CID 70909979
6-[2-(4-methoxypiperidin-1-yl)ethyl]pyridin-3-amine
CID 107340047
6-(3-pyrrolidin-1-ylpropyl)pyridin-3-amine
CID 154654076
2-(5-amino-2-pyridinyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide;dihydrochloride
CID 120642533
1-methyl-4-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 20791675
2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-N'-hydroxy-2-methylpropanimidamide
CID 104797626
6-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]pyridin-3-amine
CID 107339981
(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125175328
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
CID 153361606
CID 153361606

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde?
The IUPAC name of 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde (CID 174688930) is 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde.
What is the SMILES notation for 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde?
The canonical SMILES for 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde is CN1CCN(Cc2ccc(N)cn2)CC1C=O.
What is the InChIKey of 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde?
The InChIKey is WLOYYRGXUBRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-4-5-16(8-12(15)9-17)7-11-3-2-10(13)6-14-11/h2-3,6,9,12H,4-5,7-8,13H2,1H3.
What are the key properties of 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde?
4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-pyridinyl)methyl]-1-methylpiperazine-2-carbaldehyde is sourced from PubChem (CID 174688930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).