piperidine;propanal

C8H17NO — CID 145408310

IUPACpiperidine;propanal
SMILESC1CCNCC1.CCC=O
InChIInChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;3H,2H2,1H3
InChIKeyMZOCTSHFHVYBCC-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.36
Rot. Bonds1

About piperidine;propanal

piperidine;propanal (PubChem CID 145408310) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is piperidine;propanal.

Molecular Properties

Compound Namepiperidine;propanal
PubChem CID145408310
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namepiperidine;propanal
SMILESC1CCNCC1.CCC=O
InChIInChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;3H,2H2,1H3
InChIKeyMZOCTSHFHVYBCC-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.36
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 piperidine;propanal?
The IUPAC name of piperidine;propanal (CID 145408310) is piperidine;propanal.
What is the SMILES notation for piperidine;propanal?
The canonical SMILES for piperidine;propanal is C1CCNCC1.CCC=O.
What is the InChIKey of piperidine;propanal?
The InChIKey is MZOCTSHFHVYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O/c1-2-4-6-5-3-1;1-2-3-4/h6H,1-5H2;3H,2H2,1H3.
What are the key properties of piperidine;propanal?
piperidine;propanal has a molecular weight of 143.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;propanal is sourced from PubChem (CID 145408310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).