acetaldehyde;piperidine

C7H15NO — CID 142844785

IUPACacetaldehyde;piperidine
SMILESC1CCNCC1.CC=O
InChIInChI=1S/C5H11N.C2H4O/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;2H,1H3
InChIKeyKYFXRWWXRBKRGL-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.97
Rot. Bonds

About acetaldehyde;piperidine

acetaldehyde;piperidine (PubChem CID 142844785) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is acetaldehyde;piperidine.

Molecular Properties

Compound Nameacetaldehyde;piperidine
PubChem CID142844785
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameacetaldehyde;piperidine
SMILESC1CCNCC1.CC=O
InChIInChI=1S/C5H11N.C2H4O/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;2H,1H3
InChIKeyKYFXRWWXRBKRGL-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.97
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 acetaldehyde;piperidine?
The IUPAC name of acetaldehyde;piperidine (CID 142844785) is acetaldehyde;piperidine.
What is the SMILES notation for acetaldehyde;piperidine?
The canonical SMILES for acetaldehyde;piperidine is C1CCNCC1.CC=O.
What is the InChIKey of acetaldehyde;piperidine?
The InChIKey is KYFXRWWXRBKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O/c1-2-4-6-5-3-1;1-2-3/h6H,1-5H2;2H,1H3.
What are the key properties of acetaldehyde;piperidine?
acetaldehyde;piperidine has a molecular weight of 129.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;piperidine is sourced from PubChem (CID 142844785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).