1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine

C14H20F2N2O — CID 118648269

IUPAC1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
SMILESCOCCCc1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-19-8-2-3-11-9-12(15)14(13(16)10-11)18-6-4-17-5-7-18/h9-10,17H,2-8H2,1H3
InChIKeyGGJBKUDVGRKVHZ-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.95
Rot. Bonds5

About 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine

1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine (PubChem CID 118648269) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
PubChem CID118648269
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine
SMILESCOCCCc1cc(F)c(N2CCNCC2)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-19-8-2-3-11-9-12(15)14(13(16)10-11)18-6-4-17-5-7-18/h9-10,17H,2-8H2,1H3
InChIKeyGGJBKUDVGRKVHZ-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine?
The IUPAC name of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine (CID 118648269) is 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine.
What is the SMILES notation for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine?
The canonical SMILES for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine is COCCCc1cc(F)c(N2CCNCC2)c(F)c1.
What is the InChIKey of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine?
The InChIKey is GGJBKUDVGRKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-8-2-3-11-9-12(15)14(13(16)10-11)18-6-4-17-5-7-18/h9-10,17H,2-8H2,1H3.
What are the key properties of 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine?
1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-difluoro-4-(3-methoxypropyl)phenyl]piperazine is sourced from PubChem (CID 118648269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).