butanal;piperidine

C9H19NO — CID 174367249

IUPACbutanal;piperidine
SMILESC1CCNCC1.CCCC=O
InChIInChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-2-3-4-5/h6H,1-5H2;4H,2-3H2,1H3
InChIKeyAIOMEQWDZDARFJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.75
Rot. Bonds2

About butanal;piperidine

butanal;piperidine (PubChem CID 174367249) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is butanal;piperidine.

Molecular Properties

Compound Namebutanal;piperidine
PubChem CID174367249
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namebutanal;piperidine
SMILESC1CCNCC1.CCCC=O
InChIInChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-2-3-4-5/h6H,1-5H2;4H,2-3H2,1H3
InChIKeyAIOMEQWDZDARFJ-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.75
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 butanal;piperidine?
The IUPAC name of butanal;piperidine (CID 174367249) is butanal;piperidine.
What is the SMILES notation for butanal;piperidine?
The canonical SMILES for butanal;piperidine is C1CCNCC1.CCCC=O.
What is the InChIKey of butanal;piperidine?
The InChIKey is AIOMEQWDZDARFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C4H8O/c1-2-4-6-5-3-1;1-2-3-4-5/h6H,1-5H2;4H,2-3H2,1H3.
What are the key properties of butanal;piperidine?
butanal;piperidine has a molecular weight of 157.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;piperidine is sourced from PubChem (CID 174367249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).