1,4-bis(3-methoxypropyl)piperazine

C12H26N2O2 — CID 54442432

IUPAC1,4-bis(3-methoxypropyl)piperazine
SMILESCOCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C12H26N2O2/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2/h3-12H2,1-2H3
InChIKeyWPBUCRRKUBHQGM-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.68
Rot. Bonds8

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

1,4-bis(3-methoxypropyl)piperazine (PubChem CID 54442432) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1,4-bis(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name1,4-bis(3-methoxypropyl)piperazine
PubChem CID54442432
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1,4-bis(3-methoxypropyl)piperazine
SMILESCOCCCN1CCN(CCCOC)CC1
InChIInChI=1S/C12H26N2O2/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2/h3-12H2,1-2H3
InChIKeyWPBUCRRKUBHQGM-UHFFFAOYSA-N
XLogP0.68
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.68
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-methoxypropyl)piperazine?
The IUPAC name of 1,4-bis(3-methoxypropyl)piperazine (CID 54442432) is 1,4-bis(3-methoxypropyl)piperazine.
What is the SMILES notation for 1,4-bis(3-methoxypropyl)piperazine?
The canonical SMILES for 1,4-bis(3-methoxypropyl)piperazine is COCCCN1CCN(CCCOC)CC1.
What is the InChIKey of 1,4-bis(3-methoxypropyl)piperazine?
The InChIKey is WPBUCRRKUBHQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2/h3-12H2,1-2H3.
What are the key properties of 1,4-bis(3-methoxypropyl)piperazine?
1,4-bis(3-methoxypropyl)piperazine has a molecular weight of 230.35 g/mol, XLogP of 0.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-methoxypropyl)piperazine is sourced from PubChem (CID 54442432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).