6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde

C13H18N2O2 — CID 89253527

IUPAC6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde
SMILESCCN1CCC(O)(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-15-7-5-13(17,6-8-15)12-4-3-11(10-16)9-14-12/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyUIRBTXDVJCMCNN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds3

About 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde

6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde (PubChem CID 89253527) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde
PubChem CID89253527
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde
SMILESCCN1CCC(O)(c2ccc(C=O)cn2)CC1
InChIInChI=1S/C13H18N2O2/c1-2-15-7-5-13(17,6-8-15)12-4-3-11(10-16)9-14-12/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyUIRBTXDVJCMCNN-UHFFFAOYSA-N
XLogP1.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde (CID 89253527) is 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde is CCN1CCC(O)(c2ccc(C=O)cn2)CC1.
What is the InChIKey of 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde?
The InChIKey is UIRBTXDVJCMCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15-7-5-13(17,6-8-15)12-4-3-11(10-16)9-14-12/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde?
6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-4-hydroxypiperidin-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 89253527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).