4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde

C15H19NO — CID 54341299

IUPAC4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
SMILESO=Cc1ccc(C=CCN2CCCCC2)cc1
InChIInChI=1S/C15H19NO/c17-13-15-8-6-14(7-9-15)5-4-12-16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2
InChIKeyTZDCOUPSGKZTBV-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.00
Rot. Bonds4

About 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde

4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde (PubChem CID 54341299) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
PubChem CID54341299
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
SMILESO=Cc1ccc(C=CCN2CCCCC2)cc1
InChIInChI=1S/C15H19NO/c17-13-15-8-6-14(7-9-15)5-4-12-16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2
InChIKeyTZDCOUPSGKZTBV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
1-[(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienyl]pyrrolidine
CID 101109083
2-(3-piperidin-1-ylprop-1-enyl)phenol
CID 150024311
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde?
The IUPAC name of 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde (CID 54341299) is 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde.
What is the SMILES notation for 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde?
The canonical SMILES for 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde is O=Cc1ccc(C=CCN2CCCCC2)cc1.
What is the InChIKey of 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde?
The InChIKey is TZDCOUPSGKZTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-13-15-8-6-14(7-9-15)5-4-12-16-10-2-1-3-11-16/h4-9,13H,1-3,10-12H2.
What are the key properties of 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde?
4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde has a molecular weight of 229.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde is sourced from PubChem (CID 54341299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).