4-(piperidin-4-ylmethoxy)benzaldehyde

C13H17NO2 — CID 154636749

IUPAC4-(piperidin-4-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H17NO2/c15-9-11-1-3-13(4-2-11)16-10-12-5-7-14-8-6-12/h1-4,9,12,14H,5-8,10H2
InChIKeyZVKMIZLTHQKFNU-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.88
Rot. Bonds4

About 4-(piperidin-4-ylmethoxy)benzaldehyde

4-(piperidin-4-ylmethoxy)benzaldehyde (PubChem CID 154636749) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxy)benzaldehyde
PubChem CID154636749
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(piperidin-4-ylmethoxy)benzaldehyde
SMILESO=Cc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C13H17NO2/c15-9-11-1-3-13(4-2-11)16-10-12-5-7-14-8-6-12/h1-4,9,12,14H,5-8,10H2
InChIKeyZVKMIZLTHQKFNU-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-ylmethoxy)benzaldehyde?
The IUPAC name of 4-(piperidin-4-ylmethoxy)benzaldehyde (CID 154636749) is 4-(piperidin-4-ylmethoxy)benzaldehyde.
What is the SMILES notation for 4-(piperidin-4-ylmethoxy)benzaldehyde?
The canonical SMILES for 4-(piperidin-4-ylmethoxy)benzaldehyde is O=Cc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of 4-(piperidin-4-ylmethoxy)benzaldehyde?
The InChIKey is ZVKMIZLTHQKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-11-1-3-13(4-2-11)16-10-12-5-7-14-8-6-12/h1-4,9,12,14H,5-8,10H2.
What are the key properties of 4-(piperidin-4-ylmethoxy)benzaldehyde?
4-(piperidin-4-ylmethoxy)benzaldehyde has a molecular weight of 219.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxy)benzaldehyde is sourced from PubChem (CID 154636749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).