2-methylpropanal;piperidine

C9H19NO — CID 22388706

IUPAC2-methylpropanal;piperidine
SMILESC1CCNCC1.CC(C)C=O
InChIInChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3-4H,1-2H3
InChIKeyWGNGPXVSZTYILB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.60
Rot. Bonds1

About 2-methylpropanal;piperidine

2-methylpropanal;piperidine (PubChem CID 22388706) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methylpropanal;piperidine.

Molecular Properties

Compound Name2-methylpropanal;piperidine
PubChem CID22388706
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methylpropanal;piperidine
SMILESC1CCNCC1.CC(C)C=O
InChIInChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3-4H,1-2H3
InChIKeyWGNGPXVSZTYILB-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.60
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 2-methylpropanal;piperidine?
The IUPAC name of 2-methylpropanal;piperidine (CID 22388706) is 2-methylpropanal;piperidine.
What is the SMILES notation for 2-methylpropanal;piperidine?
The canonical SMILES for 2-methylpropanal;piperidine is C1CCNCC1.CC(C)C=O.
What is the InChIKey of 2-methylpropanal;piperidine?
The InChIKey is WGNGPXVSZTYILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-4(2)3-5/h6H,1-5H2;3-4H,1-2H3.
What are the key properties of 2-methylpropanal;piperidine?
2-methylpropanal;piperidine has a molecular weight of 157.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanal;piperidine is sourced from PubChem (CID 22388706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).