1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde

C12H16N2O — CID 62663790

IUPAC1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
SMILESCc1cccnc1N1CCC(C=O)CC1
InChIInChI=1S/C12H16N2O/c1-10-3-2-6-13-12(10)14-7-4-11(9-15)5-8-14/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLRMLTOOWHRGBIV-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.81
Rot. Bonds2

About 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde

1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde (PubChem CID 62663790) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
PubChem CID62663790
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
SMILESCc1cccnc1N1CCC(C=O)CC1
InChIInChI=1S/C12H16N2O/c1-10-3-2-6-13-12(10)14-7-4-11(9-15)5-8-14/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyLRMLTOOWHRGBIV-UHFFFAOYSA-N
XLogP1.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde (CID 62663790) is 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde is Cc1cccnc1N1CCC(C=O)CC1.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde?
The InChIKey is LRMLTOOWHRGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-6-13-12(10)14-7-4-11(9-15)5-8-14/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde?
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 62663790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).