4,5-dimethylpiperidine-3-carbaldehyde

C8H15NO — CID 175331657

IUPAC4,5-dimethylpiperidine-3-carbaldehyde
SMILESCC1CNCC(C=O)C1C
InChIInChI=1S/C8H15NO/c1-6-3-9-4-8(5-10)7(6)2/h5-9H,3-4H2,1-2H3
InChIKeyQIURVFTYZOBOCK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds1

About 4,5-dimethylpiperidine-3-carbaldehyde

4,5-dimethylpiperidine-3-carbaldehyde (PubChem CID 175331657) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-dimethylpiperidine-3-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethylpiperidine-3-carbaldehyde
PubChem CID175331657
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-dimethylpiperidine-3-carbaldehyde
SMILESCC1CNCC(C=O)C1C
InChIInChI=1S/C8H15NO/c1-6-3-9-4-8(5-10)7(6)2/h5-9H,3-4H2,1-2H3
InChIKeyQIURVFTYZOBOCK-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylpiperidine-3-carbaldehyde?
The IUPAC name of 4,5-dimethylpiperidine-3-carbaldehyde (CID 175331657) is 4,5-dimethylpiperidine-3-carbaldehyde.
What is the SMILES notation for 4,5-dimethylpiperidine-3-carbaldehyde?
The canonical SMILES for 4,5-dimethylpiperidine-3-carbaldehyde is CC1CNCC(C=O)C1C.
What is the InChIKey of 4,5-dimethylpiperidine-3-carbaldehyde?
The InChIKey is QIURVFTYZOBOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-9-4-8(5-10)7(6)2/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethylpiperidine-3-carbaldehyde?
4,5-dimethylpiperidine-3-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylpiperidine-3-carbaldehyde is sourced from PubChem (CID 175331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).