(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde

C11H15N3O — CID 42555979

IUPAC(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
SMILESCc1cncc(N2CCC[C@H](C=O)C2)n1
InChIInChI=1S/C11H15N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,8,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyNVGILFLKKKTQML-JTQLQIEISA-N
MW205.26 g/mol
LogP1.20
Rot. Bonds2

About (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde

(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde (PubChem CID 42555979) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
PubChem CID42555979
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde
SMILESCc1cncc(N2CCC[C@H](C=O)C2)n1
InChIInChI=1S/C11H15N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,8,10H,2-4,7H2,1H3/t10-/m0/s1
InChIKeyNVGILFLKKKTQML-JTQLQIEISA-N
XLogP1.20
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
2-(3-methoxypiperidin-1-yl)-6-methylpyrazine
CID 133470094
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953
[1-(6-methylpyrazin-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155799937
(3R)-1-(6-methylpyrazin-2-yl)pyrrolidin-3-ol
CID 129412688
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde
CID 107875515
2-methyl-6-(3-pyridin-3-yloxypiperidin-1-yl)pyrazine
CID 166602255
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
2-(3-formylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 55100699

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde?
The IUPAC name of (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde (CID 42555979) is (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde?
The canonical SMILES for (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde is Cc1cncc(N2CCC[C@H](C=O)C2)n1.
What is the InChIKey of (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde?
The InChIKey is NVGILFLKKKTQML-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-5-12-6-11(13-9)14-4-2-3-10(7-14)8-15/h5-6,8,10H,2-4,7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde?
(3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methylpyrazin-2-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 42555979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).