4-(bromomethyl)piperidine-1-carbaldehyde

C7H12BrNO — CID 19812293

IUPAC4-(bromomethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CBr)CC1
InChIInChI=1S/C7H12BrNO/c8-5-7-1-3-9(6-10)4-2-7/h6-7H,1-5H2
InChIKeyWZVVQBXZUAOVAB-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.25
Rot. Bonds2

About 4-(bromomethyl)piperidine-1-carbaldehyde

4-(bromomethyl)piperidine-1-carbaldehyde (PubChem CID 19812293) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is 4-(bromomethyl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(bromomethyl)piperidine-1-carbaldehyde
PubChem CID19812293
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Name4-(bromomethyl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(CBr)CC1
InChIInChI=1S/C7H12BrNO/c8-5-7-1-3-9(6-10)4-2-7/h6-7H,1-5H2
InChIKeyWZVVQBXZUAOVAB-UHFFFAOYSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(bromomethyl)piperidine-1-carbaldehyde (CID 19812293) is 4-(bromomethyl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(bromomethyl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(bromomethyl)piperidine-1-carbaldehyde is O=CN1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)piperidine-1-carbaldehyde?
The InChIKey is WZVVQBXZUAOVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-5-7-1-3-9(6-10)4-2-7/h6-7H,1-5H2.
What are the key properties of 4-(bromomethyl)piperidine-1-carbaldehyde?
4-(bromomethyl)piperidine-1-carbaldehyde has a molecular weight of 206.08 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)piperidine-1-carbaldehyde is sourced from PubChem (CID 19812293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).