4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde

C13H25N3O — CID 82084391

IUPAC4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c17-13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h13H,1-12H2
InChIKeyDSLHVDQCYUWZQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.64
Rot. Bonds5

About 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde

4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde (PubChem CID 82084391) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde
PubChem CID82084391
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c17-13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h13H,1-12H2
InChIKeyDSLHVDQCYUWZQO-UHFFFAOYSA-N
XLogP0.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.64
H-Bond Donors ≤ 50
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-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde (CID 82084391) is 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde is O=CN1CCN(CCCN2CCCCC2)CC1.
What is the InChIKey of 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde?
The InChIKey is DSLHVDQCYUWZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c17-13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h13H,1-12H2.
What are the key properties of 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde?
4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).