4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde

C13H17NO — CID 22611139

IUPAC4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde
SMILESO=CC1C=CC(=CN2CCCCC2)C=C1
InChIInChI=1S/C13H17NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,10-11,13H,1-3,8-9H2/b12-10-
InChIKeyXLEGMKZIUKPUAX-BENRWUELSA-N
MW203.29 g/mol
LogP2.30
Rot. Bonds2

About 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde

4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde (PubChem CID 22611139) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde
PubChem CID22611139
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde
SMILESO=CC1C=CC(=CN2CCCCC2)C=C1
InChIInChI=1S/C13H17NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,10-11,13H,1-3,8-9H2/b12-10-
InChIKeyXLEGMKZIUKPUAX-BENRWUELSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde?
The IUPAC name of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde (CID 22611139) is 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde?
The canonical SMILES for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde is O=CC1C=CC(=CN2CCCCC2)C=C1.
What is the InChIKey of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde?
The InChIKey is XLEGMKZIUKPUAX-BENRWUELSA-N. The full InChI is InChI=1S/C13H17NO/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14/h4-7,10-11,13H,1-3,8-9H2/b12-10-.
What are the key properties of 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde?
4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethylidene)cyclohexa-2,5-diene-1-carbaldehyde is sourced from PubChem (CID 22611139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).