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

C13H24N4O2 — CID 142647395

IUPAC4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
SMILESCCC(N1CCN(C=O)CC1)N1CCN(C=O)CC1
InChIInChI=1S/C13H24N4O2/c1-2-13(16-7-3-14(11-18)4-8-16)17-9-5-15(12-19)6-10-17/h11-13H,2-10H2,1H3
InChIKeyRBEWOOYGPVVLMJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.73
Rot. Bonds5

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

4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde (PubChem CID 142647395) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
PubChem CID142647395
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde
SMILESCCC(N1CCN(C=O)CC1)N1CCN(C=O)CC1
InChIInChI=1S/C13H24N4O2/c1-2-13(16-7-3-14(11-18)4-8-16)17-9-5-15(12-19)6-10-17/h11-13H,2-10H2,1H3
InChIKeyRBEWOOYGPVVLMJ-UHFFFAOYSA-N
XLogP-0.73
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.73
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-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde (CID 142647395) is 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde is CCC(N1CCN(C=O)CC1)N1CCN(C=O)CC1.
What is the InChIKey of 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
The InChIKey is RBEWOOYGPVVLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-2-13(16-7-3-14(11-18)4-8-16)17-9-5-15(12-19)6-10-17/h11-13H,2-10H2,1H3.
What are the key properties of 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde?
4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde has a molecular weight of 268.36 g/mol, XLogP of -0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-formylpiperazin-1-yl)propyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 142647395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).