3-piperazin-1-ylpropyl formate

C8H16N2O2 — CID 57443681

IUPAC3-piperazin-1-ylpropyl formate
SMILESO=COCCCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8-12-7-1-4-10-5-2-9-3-6-10/h8-9H,1-7H2
InChIKeyFWHDIAMICJVZEA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.55
Rot. Bonds5

About 3-piperazin-1-ylpropyl formate

3-piperazin-1-ylpropyl formate (PubChem CID 57443681) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-piperazin-1-ylpropyl formate.

Molecular Properties

Compound Name3-piperazin-1-ylpropyl formate
PubChem CID57443681
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-piperazin-1-ylpropyl formate
SMILESO=COCCCN1CCNCC1
InChIInChI=1S/C8H16N2O2/c11-8-12-7-1-4-10-5-2-9-3-6-10/h8-9H,1-7H2
InChIKeyFWHDIAMICJVZEA-UHFFFAOYSA-N
XLogP-0.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpropyl formate?
The IUPAC name of 3-piperazin-1-ylpropyl formate (CID 57443681) is 3-piperazin-1-ylpropyl formate.
What is the SMILES notation for 3-piperazin-1-ylpropyl formate?
The canonical SMILES for 3-piperazin-1-ylpropyl formate is O=COCCCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpropyl formate?
The InChIKey is FWHDIAMICJVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-8-12-7-1-4-10-5-2-9-3-6-10/h8-9H,1-7H2.
What are the key properties of 3-piperazin-1-ylpropyl formate?
3-piperazin-1-ylpropyl formate has a molecular weight of 172.23 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpropyl formate is sourced from PubChem (CID 57443681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).