4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde

C13H24N4O2 — CID 18770385

IUPAC4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C13H24N4O2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h12-13H,1-11H2
InChIKeyFQZNLIXRYCZIPW-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.08
Rot. Bonds6

About 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde

4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde (PubChem CID 18770385) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
PubChem CID18770385
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCN2CCN(C=O)CC2)CC1
InChIInChI=1S/C13H24N4O2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h12-13H,1-11H2
InChIKeyFQZNLIXRYCZIPW-UHFFFAOYSA-N
XLogP-1.08
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde (CID 18770385) is 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde is O=CN1CCN(CCCN2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The InChIKey is FQZNLIXRYCZIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c18-12-16-8-4-14(5-9-16)2-1-3-15-6-10-17(13-19)11-7-15/h12-13H,1-11H2.
What are the key properties of 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of -1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 18770385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).