3-piperidin-1-ylpyridine-2-carbaldehyde

C11H14N2O — CID 84662702

IUPAC3-piperidin-1-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncccc1N1CCCCC1
InChIInChI=1S/C11H14N2O/c14-9-10-11(5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChIKeySDGQJDPWXPSTKV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.88
Rot. Bonds2

About 3-piperidin-1-ylpyridine-2-carbaldehyde

3-piperidin-1-ylpyridine-2-carbaldehyde (PubChem CID 84662702) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-piperidin-1-ylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-piperidin-1-ylpyridine-2-carbaldehyde
PubChem CID84662702
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-piperidin-1-ylpyridine-2-carbaldehyde
SMILESO=Cc1ncccc1N1CCCCC1
InChIInChI=1S/C11H14N2O/c14-9-10-11(5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2
InChIKeySDGQJDPWXPSTKV-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.88
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 3-piperidin-1-ylpyridine-2-carbaldehyde?
The IUPAC name of 3-piperidin-1-ylpyridine-2-carbaldehyde (CID 84662702) is 3-piperidin-1-ylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-piperidin-1-ylpyridine-2-carbaldehyde?
The canonical SMILES for 3-piperidin-1-ylpyridine-2-carbaldehyde is O=Cc1ncccc1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpyridine-2-carbaldehyde?
The InChIKey is SDGQJDPWXPSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-9-10-11(5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2.
What are the key properties of 3-piperidin-1-ylpyridine-2-carbaldehyde?
3-piperidin-1-ylpyridine-2-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpyridine-2-carbaldehyde is sourced from PubChem (CID 84662702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).