1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine

C15H30F2N2O3 — CID 142364812

IUPAC1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCCCOCC(F)(F)COC)CC1
InChIInChI=1S/C15H30F2N2O3/c1-20-12-10-19-8-6-18(7-9-19)5-3-4-11-22-14-15(16,17)13-21-2/h3-14H2,1-2H3
InChIKeyWLHPXDLTZMRISH-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.33
Rot. Bonds12

About 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine

1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine (PubChem CID 142364812) has the molecular formula C15H30F2N2O3 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine
PubChem CID142364812
Molecular FormulaC15H30F2N2O3
Molecular Weight324.41 g/mol
Exact Mass324.22
IUPAC Name1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(CCCCOCC(F)(F)COC)CC1
InChIInChI=1S/C15H30F2N2O3/c1-20-12-10-19-8-6-18(7-9-19)5-3-4-11-22-14-15(16,17)13-21-2/h3-14H2,1-2H3
InChIKeyWLHPXDLTZMRISH-UHFFFAOYSA-N
XLogP1.33
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine (CID 142364812) is 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(CCCCOCC(F)(F)COC)CC1.
What is the InChIKey of 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is WLHPXDLTZMRISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2O3/c1-20-12-10-19-8-6-18(7-9-19)5-3-4-11-22-14-15(16,17)13-21-2/h3-14H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine?
1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 324.41 g/mol, XLogP of 1.33, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoro-3-methoxypropoxy)butyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 142364812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).