(Z)-4-piperidin-3-ylbut-3-enal

C9H15NO — CID 117267528

IUPAC(Z)-4-piperidin-3-ylbut-3-enal
SMILESO=CC/C=C\C1CCCNC1
InChIInChI=1S/C9H15NO/c11-7-2-1-4-9-5-3-6-10-8-9/h1,4,7,9-10H,2-3,5-6,8H2/b4-1-
InChIKeyFACFXCIYULQAEG-RJRFIUFISA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds3

About (Z)-4-piperidin-3-ylbut-3-enal

(Z)-4-piperidin-3-ylbut-3-enal (PubChem CID 117267528) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-4-piperidin-3-ylbut-3-enal.

Molecular Properties

Compound Name(Z)-4-piperidin-3-ylbut-3-enal
PubChem CID117267528
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-4-piperidin-3-ylbut-3-enal
SMILESO=CC/C=C\C1CCCNC1
InChIInChI=1S/C9H15NO/c11-7-2-1-4-9-5-3-6-10-8-9/h1,4,7,9-10H,2-3,5-6,8H2/b4-1-
InChIKeyFACFXCIYULQAEG-RJRFIUFISA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-cyclopentylbut-3-enal
CID 117268117
(Z)-5-piperidin-3-ylpent-3-enal
CID 117267797
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
2-piperidin-3-ylethenol
CID 143898593
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
3-but-1-enylpyrrolidine
CID 54030286
(E)-3-pyrrolidin-3-ylprop-2-enal
CID 115011111
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848
2-(3-methylazocan-5-yl)acetaldehyde
CID 170064553
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-piperidin-3-ylprop-2-ynal
CID 117265475

Frequently Asked Questions

What is the IUPAC name of (Z)-4-piperidin-3-ylbut-3-enal?
The IUPAC name of (Z)-4-piperidin-3-ylbut-3-enal (CID 117267528) is (Z)-4-piperidin-3-ylbut-3-enal.
What is the SMILES notation for (Z)-4-piperidin-3-ylbut-3-enal?
The canonical SMILES for (Z)-4-piperidin-3-ylbut-3-enal is O=CC/C=C\C1CCCNC1.
What is the InChIKey of (Z)-4-piperidin-3-ylbut-3-enal?
The InChIKey is FACFXCIYULQAEG-RJRFIUFISA-N. The full InChI is InChI=1S/C9H15NO/c11-7-2-1-4-9-5-3-6-10-8-9/h1,4,7,9-10H,2-3,5-6,8H2/b4-1-.
What are the key properties of (Z)-4-piperidin-3-ylbut-3-enal?
(Z)-4-piperidin-3-ylbut-3-enal has a molecular weight of 153.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-piperidin-3-ylbut-3-enal is sourced from PubChem (CID 117267528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).