3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde

C12H16N2O — CID 140789844

IUPAC3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
SMILESCc1ccc(C2CCCN(C=O)C2)nc1
InChIInChI=1S/C12H16N2O/c1-10-4-5-12(13-7-10)11-3-2-6-14(8-11)9-15/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeySAYXDBVIYGQENJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.73
Rot. Bonds2

About 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde

3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde (PubChem CID 140789844) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
PubChem CID140789844
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde
SMILESCc1ccc(C2CCCN(C=O)C2)nc1
InChIInChI=1S/C12H16N2O/c1-10-4-5-12(13-7-10)11-3-2-6-14(8-11)9-15/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeySAYXDBVIYGQENJ-UHFFFAOYSA-N
XLogP1.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(1-sulfanylpiperidin-3-yl)pyridine
CID 89100449
2-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanol
CID 73440472
2-cyclohexyl-5-methylpyridine
CID 83382376
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
4-methyl-6-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]pyrimidine
CID 95845313
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824375
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
5-methyl-2-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 97304838
3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
CID 145062803
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
CID 121450458
methylcyclobutane;3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 143529828
(3R)-3-[5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 99964102

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The IUPAC name of 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde (CID 140789844) is 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde is Cc1ccc(C2CCCN(C=O)C2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
The InChIKey is SAYXDBVIYGQENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-4-5-12(13-7-10)11-3-2-6-14(8-11)9-15/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde?
3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 140789844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).