(Z)-2-piperidin-1-ylbut-2-enal

C9H15NO — CID 11126467

IUPAC(Z)-2-piperidin-1-ylbut-2-enal
SMILESC/C=C(/C=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-9(8-11)10-6-4-3-5-7-10/h2,8H,3-7H2,1H3/b9-2-
InChIKeyQATJQKZNFROBDS-MBXJOHMKSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About (Z)-2-piperidin-1-ylbut-2-enal

(Z)-2-piperidin-1-ylbut-2-enal (PubChem CID 11126467) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-2-piperidin-1-ylbut-2-enal.

Molecular Properties

Compound Name(Z)-2-piperidin-1-ylbut-2-enal
PubChem CID11126467
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-2-piperidin-1-ylbut-2-enal
SMILESC/C=C(/C=O)N1CCCCC1
InChIInChI=1S/C9H15NO/c1-2-9(8-11)10-6-4-3-5-7-10/h2,8H,3-7H2,1H3/b9-2-
InChIKeyQATJQKZNFROBDS-MBXJOHMKSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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
2-Diethylamino-2-butenal
CID 73308882
(E)-2-(diethylamino)but-2-enal
CID 12773254
2-Piperidino-2-hexenal
CID 74024163
m-Piperidinocrotonaldehyde
CID 129812650
2-Piperidin-1-ylprop-2-enal
CID 15270757
(E)-3-oxo-2-piperidin-1-ylprop-1-en-1-olate
CID 58959062
2-(Azepan-1-yl)but-2-enal
CID 88912185
2-[Ethyl(propyl)amino]but-2-enal
CID 123556118
(E)-2-(dibutylamino)but-2-enal
CID 14384943
(Z)-2-(diethylamino)but-2-enal
CID 16695318

Frequently Asked Questions

What is the IUPAC name of (Z)-2-piperidin-1-ylbut-2-enal?
The IUPAC name of (Z)-2-piperidin-1-ylbut-2-enal (CID 11126467) is (Z)-2-piperidin-1-ylbut-2-enal.
What is the SMILES notation for (Z)-2-piperidin-1-ylbut-2-enal?
The canonical SMILES for (Z)-2-piperidin-1-ylbut-2-enal is C/C=C(/C=O)N1CCCCC1.
What is the InChIKey of (Z)-2-piperidin-1-ylbut-2-enal?
The InChIKey is QATJQKZNFROBDS-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(8-11)10-6-4-3-5-7-10/h2,8H,3-7H2,1H3/b9-2-.
What are the key properties of (Z)-2-piperidin-1-ylbut-2-enal?
(Z)-2-piperidin-1-ylbut-2-enal has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-piperidin-1-ylbut-2-enal is sourced from PubChem (CID 11126467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).