2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde

C13H21NO — CID 123665113

IUPAC2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde
SMILESC=C(C=CC)CN1CCCCC1CC=O
InChIInChI=1S/C13H21NO/c1-3-6-12(2)11-14-9-5-4-7-13(14)8-10-15/h3,6,10,13H,2,4-5,7-9,11H2,1H3
InChIKeyHAEXNKIMPNZCQT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde

2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde (PubChem CID 123665113) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde
PubChem CID123665113
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde
SMILESC=C(C=CC)CN1CCCCC1CC=O
InChIInChI=1S/C13H21NO/c1-3-6-12(2)11-14-9-5-4-7-13(14)8-10-15/h3,6,10,13H,2,4-5,7-9,11H2,1H3
InChIKeyHAEXNKIMPNZCQT-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde?
The IUPAC name of 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde (CID 123665113) is 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde?
The canonical SMILES for 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde is C=C(C=CC)CN1CCCCC1CC=O.
What is the InChIKey of 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde?
The InChIKey is HAEXNKIMPNZCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-12(2)11-14-9-5-4-7-13(14)8-10-15/h3,6,10,13H,2,4-5,7-9,11H2,1H3.
What are the key properties of 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde?
2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde has a molecular weight of 207.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylidenepent-3-enyl)piperidin-2-yl]acetaldehyde is sourced from PubChem (CID 123665113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).