5-bromo-2-piperidin-1-ylbenzaldehyde

C12H14BrNO — CID 23091138

IUPAC5-bromo-2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H14BrNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyYFNSDOXNCJMVHQ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-2-piperidin-1-ylbenzaldehyde

5-bromo-2-piperidin-1-ylbenzaldehyde (PubChem CID 23091138) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 5-bromo-2-piperidin-1-ylbenzaldehyde.

Molecular Properties

Compound Name5-bromo-2-piperidin-1-ylbenzaldehyde
PubChem CID23091138
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name5-bromo-2-piperidin-1-ylbenzaldehyde
SMILESO=Cc1cc(Br)ccc1N1CCCCC1
InChIInChI=1S/C12H14BrNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2
InChIKeyYFNSDOXNCJMVHQ-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.25
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 5-bromo-2-piperidin-1-ylbenzaldehyde?
The IUPAC name of 5-bromo-2-piperidin-1-ylbenzaldehyde (CID 23091138) is 5-bromo-2-piperidin-1-ylbenzaldehyde.
What is the SMILES notation for 5-bromo-2-piperidin-1-ylbenzaldehyde?
The canonical SMILES for 5-bromo-2-piperidin-1-ylbenzaldehyde is O=Cc1cc(Br)ccc1N1CCCCC1.
What is the InChIKey of 5-bromo-2-piperidin-1-ylbenzaldehyde?
The InChIKey is YFNSDOXNCJMVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 5-bromo-2-piperidin-1-ylbenzaldehyde?
5-bromo-2-piperidin-1-ylbenzaldehyde has a molecular weight of 268.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-piperidin-1-ylbenzaldehyde is sourced from PubChem (CID 23091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).