2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde

C8H14BrNO — CID 166693019

IUPAC2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde
SMILESO=CCN1CCC(CBr)CC1
InChIInChI=1S/C8H14BrNO/c9-7-8-1-3-10(4-2-8)5-6-11/h6,8H,1-5,7H2
InChIKeyWSZJJMOOJGESKO-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde

2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde (PubChem CID 166693019) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde
PubChem CID166693019
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde
SMILESO=CCN1CCC(CBr)CC1
InChIInChI=1S/C8H14BrNO/c9-7-8-1-3-10(4-2-8)5-6-11/h6,8H,1-5,7H2
InChIKeyWSZJJMOOJGESKO-UHFFFAOYSA-N
XLogP1.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde (CID 166693019) is 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde is O=CCN1CCC(CBr)CC1.
What is the InChIKey of 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde?
The InChIKey is WSZJJMOOJGESKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO/c9-7-8-1-3-10(4-2-8)5-6-11/h6,8H,1-5,7H2.
What are the key properties of 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde?
2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde has a molecular weight of 220.11 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)piperidin-1-yl]acetaldehyde is sourced from PubChem (CID 166693019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).