4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde

C15H19NO — CID 3064214

IUPAC4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde
SMILESC=CCN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-10-16-11-8-15(13-17,9-12-16)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2
InChIKeyLBECMCNMHLWKEY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.41
Rot. Bonds4

About 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde

4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde (PubChem CID 3064214) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde
PubChem CID3064214
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde
SMILESC=CCN1CCC(C=O)(c2ccccc2)CC1
InChIInChI=1S/C15H19NO/c1-2-10-16-11-8-15(13-17,9-12-16)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2
InChIKeyLBECMCNMHLWKEY-UHFFFAOYSA-N
XLogP2.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde 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 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde?
The IUPAC name of 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde (CID 3064214) is 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde.
What is the SMILES notation for 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde?
The canonical SMILES for 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde is C=CCN1CCC(C=O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde?
The InChIKey is LBECMCNMHLWKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-10-16-11-8-15(13-17,9-12-16)14-6-4-3-5-7-14/h2-7,13H,1,8-12H2.
What are the key properties of 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde?
4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde has a molecular weight of 229.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-prop-2-enylpiperidine-4-carbaldehyde is sourced from PubChem (CID 3064214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).