2-piperidin-1-ylprop-2-enal

C8H13NO — CID 15270757

IUPAC2-piperidin-1-ylprop-2-enal
SMILESC=C(C=O)N1CCCCC1
InChIInChI=1S/C8H13NO/c1-8(7-10)9-5-3-2-4-6-9/h7H,1-6H2
InChIKeyHQMOIYGCNOSXAE-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds2

About 2-piperidin-1-ylprop-2-enal

2-piperidin-1-ylprop-2-enal (PubChem CID 15270757) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-piperidin-1-ylprop-2-enal.

Molecular Properties

Compound Name2-piperidin-1-ylprop-2-enal
PubChem CID15270757
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-piperidin-1-ylprop-2-enal
SMILESC=C(C=O)N1CCCCC1
InChIInChI=1S/C8H13NO/c1-8(7-10)9-5-3-2-4-6-9/h7H,1-6H2
InChIKeyHQMOIYGCNOSXAE-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-piperidin-1-ylbut-2-enal
CID 6504395
(E)-alpha-Ethylidenepiperidine-1-acetaldehyde
CID 103701
alpha-Piperidinocrotonaldehyde
CID 11126467
(Z)-3-hydroxy-2-piperidin-1-ylprop-2-enal
CID 133621664
(E)-3-hydroxy-2-piperidin-1-ylprop-2-enal
CID 12887447
(E)-3-oxo-2-piperidin-1-ylprop-1-en-1-olate
CID 58959062
3-Hydroxy-2-piperidin-1-ylprop-2-enal
CID 72474899
2-(Dibutylamino)prop-2-enal
CID 141406939
(Z)-3-(dimethylamino)-2-piperidin-1-ylprop-2-enal
CID 133676484

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylprop-2-enal?
The IUPAC name of 2-piperidin-1-ylprop-2-enal (CID 15270757) is 2-piperidin-1-ylprop-2-enal.
What is the SMILES notation for 2-piperidin-1-ylprop-2-enal?
The canonical SMILES for 2-piperidin-1-ylprop-2-enal is C=C(C=O)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylprop-2-enal?
The InChIKey is HQMOIYGCNOSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-8(7-10)9-5-3-2-4-6-9/h7H,1-6H2.
What are the key properties of 2-piperidin-1-ylprop-2-enal?
2-piperidin-1-ylprop-2-enal has a molecular weight of 139.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylprop-2-enal is sourced from PubChem (CID 15270757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).