1-piperidin-1-ylethanone;propanal

C10H19NO2 — CID 178173122

IUPAC1-piperidin-1-ylethanone;propanal
SMILESCC(=O)N1CCCCC1.CCC=O
InChIInChI=1S/C7H13NO.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-2-3-4/h2-6H2,1H3;3H,2H2,1H3
InChIKeyFJRYSUOZWWYBDE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.61
Rot. Bonds1

About 1-piperidin-1-ylethanone;propanal

1-piperidin-1-ylethanone;propanal (PubChem CID 178173122) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-piperidin-1-ylethanone;propanal.

Molecular Properties

Compound Name1-piperidin-1-ylethanone;propanal
PubChem CID178173122
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-piperidin-1-ylethanone;propanal
SMILESCC(=O)N1CCCCC1.CCC=O
InChIInChI=1S/C7H13NO.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-2-3-4/h2-6H2,1H3;3H,2H2,1H3
InChIKeyFJRYSUOZWWYBDE-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

propane;1-pyrrolidin-1-ylethanone
CID 143432619
N-ethylethanamine;1-piperidin-1-ylethanone
CID 143658502
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(azetidin-1-yl)ethanone
CID 14061673
cyclobutane;propanal
CID 174643363
1-(5-ethyl-1,5-diazocan-1-yl)ethanone
CID 89081102
1-(azepan-1-yl)propan-1-one
CID 3613534
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
methane;bis(1-piperidin-1-ylpropan-1-one);1-pyrrolidin-1-ylpropan-1-one
CID 158630764
acetic acid;propanal;hydrate
CID 160743945

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylethanone;propanal?
The IUPAC name of 1-piperidin-1-ylethanone;propanal (CID 178173122) is 1-piperidin-1-ylethanone;propanal.
What is the SMILES notation for 1-piperidin-1-ylethanone;propanal?
The canonical SMILES for 1-piperidin-1-ylethanone;propanal is CC(=O)N1CCCCC1.CCC=O.
What is the InChIKey of 1-piperidin-1-ylethanone;propanal?
The InChIKey is FJRYSUOZWWYBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C3H6O/c1-7(9)8-5-3-2-4-6-8;1-2-3-4/h2-6H2,1H3;3H,2H2,1H3.
What are the key properties of 1-piperidin-1-ylethanone;propanal?
1-piperidin-1-ylethanone;propanal has a molecular weight of 185.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylethanone;propanal is sourced from PubChem (CID 178173122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).