1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine

C12H23F3N2O2 — CID 126669210

IUPAC1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine
SMILESCCCCOC(COC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C12H23F3N2O2/c1-2-3-8-18-11(10-19-12(13,14)15)9-17-6-4-16-5-7-17/h11,16H,2-10H2,1H3
InChIKeyLBGCLRGVKUQOMJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.61
Rot. Bonds8

About 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine

1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine (PubChem CID 126669210) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine
PubChem CID126669210
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine
SMILESCCCCOC(COC(F)(F)F)CN1CCNCC1
InChIInChI=1S/C12H23F3N2O2/c1-2-3-8-18-11(10-19-12(13,14)15)9-17-6-4-16-5-7-17/h11,16H,2-10H2,1H3
InChIKeyLBGCLRGVKUQOMJ-UHFFFAOYSA-N
XLogP1.61
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
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-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine?
The IUPAC name of 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine (CID 126669210) is 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine.
What is the SMILES notation for 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine?
The canonical SMILES for 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine is CCCCOC(COC(F)(F)F)CN1CCNCC1.
What is the InChIKey of 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine?
The InChIKey is LBGCLRGVKUQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-2-3-8-18-11(10-19-12(13,14)15)9-17-6-4-16-5-7-17/h11,16H,2-10H2,1H3.
What are the key properties of 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine?
1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine has a molecular weight of 284.32 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butoxy-3-(trifluoromethoxy)propyl]piperazine is sourced from PubChem (CID 126669210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).