acetaldehyde;ethane;piperidine

C9H21NO — CID 156741436

IUPACacetaldehyde;ethane;piperidine
SMILESC1CCNCC1.CC.CC=O
InChIInChI=1S/C5H11N.C2H4O.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h6H,1-5H2;2H,1H3;1-2H3
InChIKeySOTIXJYPVHXDOO-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.99
Rot. Bonds

About acetaldehyde;ethane;piperidine

acetaldehyde;ethane;piperidine (PubChem CID 156741436) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is acetaldehyde;ethane;piperidine.

Molecular Properties

Compound Nameacetaldehyde;ethane;piperidine
PubChem CID156741436
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameacetaldehyde;ethane;piperidine
SMILESC1CCNCC1.CC.CC=O
InChIInChI=1S/C5H11N.C2H4O.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h6H,1-5H2;2H,1H3;1-2H3
InChIKeySOTIXJYPVHXDOO-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.99
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;ethane;piperidine?
The IUPAC name of acetaldehyde;ethane;piperidine (CID 156741436) is acetaldehyde;ethane;piperidine.
What is the SMILES notation for acetaldehyde;ethane;piperidine?
The canonical SMILES for acetaldehyde;ethane;piperidine is C1CCNCC1.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;piperidine?
The InChIKey is SOTIXJYPVHXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2H4O.C2H6/c1-2-4-6-5-3-1;1-2-3;1-2/h6H,1-5H2;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;piperidine?
acetaldehyde;ethane;piperidine has a molecular weight of 159.27 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;piperidine is sourced from PubChem (CID 156741436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).