2-methyl-3-piperidin-1-ylprop-2-enal

C9H15NO — CID 139894939

IUPAC2-methyl-3-piperidin-1-ylprop-2-enal
SMILESCC(C=O)=CN1CCCCC1
InChIInChI=1S/C9H15NO/c1-9(8-11)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeyZNEHZSMGTXWDGF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-3-piperidin-1-ylprop-2-enal

2-methyl-3-piperidin-1-ylprop-2-enal (PubChem CID 139894939) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylprop-2-enal.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylprop-2-enal
PubChem CID139894939
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-piperidin-1-ylprop-2-enal
SMILESCC(C=O)=CN1CCCCC1
InChIInChI=1S/C9H15NO/c1-9(8-11)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3
InChIKeyZNEHZSMGTXWDGF-UHFFFAOYSA-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'}

Analyze 2-methyl-3-piperidin-1-ylprop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate
CID 165157100
1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
CID 131865391
methyl 3-oxo-2-(piperidin-1-ylmethylidene)butanoate
CID 54144395
(2Z,4Z)-1-(4-chlorophenyl)-4-methyl-5-piperidin-1-ylpenta-2,4-dien-1-one
CID 134868213
(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
CID 71775865
1-[(1Z,3E)-3-methyl-2,4-dinitrobuta-1,3-dienyl]piperidine
CID 23249839
ethane;formic acid;1-methylpiperidine
CID 142182164
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
piperidine-1-carbaldehyde;prop-1-ene
CID 145368604
1-piperidin-1-ylethanone;propanal
CID 178173122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylprop-2-enal?
The IUPAC name of 2-methyl-3-piperidin-1-ylprop-2-enal (CID 139894939) is 2-methyl-3-piperidin-1-ylprop-2-enal.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylprop-2-enal?
The canonical SMILES for 2-methyl-3-piperidin-1-ylprop-2-enal is CC(C=O)=CN1CCCCC1.
What is the InChIKey of 2-methyl-3-piperidin-1-ylprop-2-enal?
The InChIKey is ZNEHZSMGTXWDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(8-11)7-10-5-3-2-4-6-10/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-3-piperidin-1-ylprop-2-enal?
2-methyl-3-piperidin-1-ylprop-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 2-methyl-3-piperidin-1-ylprop-2-enal is sourced from PubChem (CID 139894939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).