1,4-bis(3-propoxypropyl)piperazine

C16H34N2O2 — CID 54014571

IUPAC1,4-bis(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CCN(CCCOCCC)CC1
InChIInChI=1S/C16H34N2O2/c1-3-13-19-15-5-7-17-9-11-18(12-10-17)8-6-16-20-14-4-2/h3-16H2,1-2H3
InChIKeyKUSHEKDHDOCAKG-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.24
Rot. Bonds12

About 1,4-bis(3-propoxypropyl)piperazine

1,4-bis(3-propoxypropyl)piperazine (PubChem CID 54014571) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1,4-bis(3-propoxypropyl)piperazine.

Molecular Properties

Compound Name1,4-bis(3-propoxypropyl)piperazine
PubChem CID54014571
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1,4-bis(3-propoxypropyl)piperazine
SMILESCCCOCCCN1CCN(CCCOCCC)CC1
InChIInChI=1S/C16H34N2O2/c1-3-13-19-15-5-7-17-9-11-18(12-10-17)8-6-16-20-14-4-2/h3-16H2,1-2H3
InChIKeyKUSHEKDHDOCAKG-UHFFFAOYSA-N
XLogP2.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-propoxypropyl)piperazine?
The IUPAC name of 1,4-bis(3-propoxypropyl)piperazine (CID 54014571) is 1,4-bis(3-propoxypropyl)piperazine.
What is the SMILES notation for 1,4-bis(3-propoxypropyl)piperazine?
The canonical SMILES for 1,4-bis(3-propoxypropyl)piperazine is CCCOCCCN1CCN(CCCOCCC)CC1.
What is the InChIKey of 1,4-bis(3-propoxypropyl)piperazine?
The InChIKey is KUSHEKDHDOCAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-3-13-19-15-5-7-17-9-11-18(12-10-17)8-6-16-20-14-4-2/h3-16H2,1-2H3.
What are the key properties of 1,4-bis(3-propoxypropyl)piperazine?
1,4-bis(3-propoxypropyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 2.24, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-propoxypropyl)piperazine is sourced from PubChem (CID 54014571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).