1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde

C9H14BrNO — CID 62656735

IUPAC1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde
SMILESC=C(Br)CN1CCCC(C=O)C1
InChIInChI=1S/C9H14BrNO/c1-8(10)5-11-4-2-3-9(6-11)7-12/h7,9H,1-6H2
InChIKeyXUTBGURDSWUNPR-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.81
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde

1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde (PubChem CID 62656735) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde
PubChem CID62656735
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC Name1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde
SMILESC=C(Br)CN1CCCC(C=O)C1
InChIInChI=1S/C9H14BrNO/c1-8(10)5-11-4-2-3-9(6-11)7-12/h7,9H,1-6H2
InChIKeyXUTBGURDSWUNPR-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.81
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 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde (CID 62656735) is 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde is C=C(Br)CN1CCCC(C=O)C1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde?
The InChIKey is XUTBGURDSWUNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-8(10)5-11-4-2-3-9(6-11)7-12/h7,9H,1-6H2.
What are the key properties of 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde?
1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde has a molecular weight of 232.12 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 62656735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).