4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde

C12H18N4O — CID 102546827

IUPAC4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCNCc1ccc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C12H18N4O/c1-13-8-11-2-3-12(14-9-11)16-6-4-15(10-17)5-7-16/h2-3,9-10,13H,4-8H2,1H3
InChIKeyVALBHYDFTOCUCH-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.08
Rot. Bonds4

About 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde

4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 102546827) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
PubChem CID102546827
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCNCc1ccc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C12H18N4O/c1-13-8-11-2-3-12(14-9-11)16-6-4-15(10-17)5-7-16/h2-3,9-10,13H,4-8H2,1H3
InChIKeyVALBHYDFTOCUCH-UHFFFAOYSA-N
XLogP0.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[6-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 114538637
4-ethyl-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113011184
N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 113011103
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N-methyl-1-[6-(2,2,6,6-tetramethylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 102744829
2-(4-fluorophenyl)-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113011137
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 55054608
4-[5-(1-aminocyclopropyl)-2-pyridinyl]piperazine-1-carbaldehyde
CID 155587436
1-[6-[4-[6-[(4-fluorophenyl)methyl]-4-methylpyridazin-3-yl]piperazin-1-yl]-3-pyridinyl]-N-methylmethanamine
CID 71066688
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde (CID 102546827) is 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde is CNCc1ccc(N2CCN(C=O)CC2)nc1.
What is the InChIKey of 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is VALBHYDFTOCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-13-8-11-2-3-12(14-9-11)16-6-4-15(10-17)5-7-16/h2-3,9-10,13H,4-8H2,1H3.
What are the key properties of 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde?
4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylaminomethyl)-2-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 102546827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).