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

C13H19N3O2 — CID 124501524

IUPAC4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc([C@@H](C)O)cnc1N1CCN(C=O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-7-12(11(2)18)8-14-13(10)16-5-3-15(9-17)4-6-16/h7-9,11,18H,3-6H2,1-2H3/t11-/m1/s1
InChIKeySPGLHCAVIQLGED-LLVKDONJSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds3

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

4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 124501524) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
PubChem CID124501524
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
SMILESCc1cc([C@@H](C)O)cnc1N1CCN(C=O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-7-12(11(2)18)8-14-13(10)16-5-3-15(9-17)4-6-16/h7-9,11,18H,3-6H2,1-2H3/t11-/m1/s1
InChIKeySPGLHCAVIQLGED-LLVKDONJSA-N
XLogP0.72
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485
4-[5-[(S)-amino(phenyl)methyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124501535
4-[5-(aminomethyl)-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 102544924
methyl 6-(4-formylpiperazin-1-yl)-5-methylpyridine-3-carboxylate
CID 102544920
(S)-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-phenylmethanol
CID 124501542
(1R)-1-[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-ol
CID 124501540
(1R)-1-[6-(azepan-1-yl)-5-methyl-3-pyridinyl]propan-1-amine
CID 124501455
4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 141315989
(1S)-1-(5-methyl-6-piperazin-1-yl-3-pyridinyl)propan-1-amine
CID 124501480
4-[5-[(1S)-1-hydroxyethyl]-6-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 124502553
5-methyl-6-(4-propylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80636949
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde (CID 124501524) is 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde is Cc1cc([C@@H](C)O)cnc1N1CCN(C=O)CC1.
What is the InChIKey of 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is SPGLHCAVIQLGED-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-7-12(11(2)18)8-14-13(10)16-5-3-15(9-17)4-6-16/h7-9,11,18H,3-6H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde?
4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 249.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1R)-1-hydroxyethyl]-3-methyl-2-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 124501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).