4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde

C12H17N3O — CID 177170624

IUPAC4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
SMILESCCc1cccnc1N1CCN(C=O)CC1
InChIInChI=1S/C12H17N3O/c1-2-11-4-3-5-13-12(11)15-8-6-14(10-16)7-9-15/h3-5,10H,2,6-9H2,1H3
InChIKeyOGICZRKVLCPMQE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.92
Rot. Bonds3

About 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde

4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde (PubChem CID 177170624) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
PubChem CID177170624
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
SMILESCCc1cccnc1N1CCN(C=O)CC1
InChIInChI=1S/C12H17N3O/c1-2-11-4-3-5-13-12(11)15-8-6-14(10-16)7-9-15/h3-5,10H,2,6-9H2,1H3
InChIKeyOGICZRKVLCPMQE-UHFFFAOYSA-N
XLogP0.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2-(4-fluoropiperidin-1-yl)pyridine
CID 90352576
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
2-[4-[3-(chloromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 61255098
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62286453
3-(chloromethyl)-2-(4-ethylpiperidin-1-yl)pyridine
CID 61421741
3-(chloromethyl)-2-(4,4-diethylpiperidin-1-yl)pyridine
CID 63159282
N-[[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 62776416
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
4-[3-(2-ethylanilino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112946563
4-[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112871069
1-(3-ethyl-2-pyridinyl)benzimidazole
CID 148503736
1-[2-(4-methanidylpiperazin-1-yl)-3-pyridinyl]-N,N-dimethylmethanamine
CID 21029903

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde (CID 177170624) is 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde is CCc1cccnc1N1CCN(C=O)CC1.
What is the InChIKey of 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde?
The InChIKey is OGICZRKVLCPMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-11-4-3-5-13-12(11)15-8-6-14(10-16)7-9-15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde?
4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde has a molecular weight of 219.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 177170624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).