2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde

C14H25NO — CID 88847856

IUPAC2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde
SMILESC=CC1CN(CCCCC)CCC1CC=O
InChIInChI=1S/C14H25NO/c1-3-5-6-9-15-10-7-14(8-11-16)13(4-2)12-15/h4,11,13-14H,2-3,5-10,12H2,1H3
InChIKeyWNJFUVDWPCTXAS-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds7

About 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde

2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde (PubChem CID 88847856) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde
PubChem CID88847856
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde
SMILESC=CC1CN(CCCCC)CCC1CC=O
InChIInChI=1S/C14H25NO/c1-3-5-6-9-15-10-7-14(8-11-16)13(4-2)12-15/h4,11,13-14H,2-3,5-10,12H2,1H3
InChIKeyWNJFUVDWPCTXAS-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde?
The IUPAC name of 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde (CID 88847856) is 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde is C=CC1CN(CCCCC)CCC1CC=O.
What is the InChIKey of 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde?
The InChIKey is WNJFUVDWPCTXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-6-9-15-10-7-14(8-11-16)13(4-2)12-15/h4,11,13-14H,2-3,5-10,12H2,1H3.
What are the key properties of 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde?
2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde has a molecular weight of 223.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-1-pentylpiperidin-4-yl)acetaldehyde is sourced from PubChem (CID 88847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).