1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine

C20H24F2N2O — CID 3726733

IUPAC1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine
SMILESFCCCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24F2N2O/c21-10-3-15-25-18-8-6-17(7-9-18)16-23-11-13-24(14-12-23)20-5-2-1-4-19(20)22/h1-2,4-9H,3,10-16H2
InChIKeyKPRSLVQTYLMMPL-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.89
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine

1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine (PubChem CID 3726733) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine
PubChem CID3726733
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine
SMILESFCCCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24F2N2O/c21-10-3-15-25-18-8-6-17(7-9-18)16-23-11-13-24(14-12-23)20-5-2-1-4-19(20)22/h1-2,4-9H,3,10-16H2
InChIKeyKPRSLVQTYLMMPL-UHFFFAOYSA-N
XLogP3.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
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-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine (CID 3726733) is 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine is FCCCOc1ccc(CN2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine?
The InChIKey is KPRSLVQTYLMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c21-10-3-15-25-18-8-6-17(7-9-18)16-23-11-13-24(14-12-23)20-5-2-1-4-19(20)22/h1-2,4-9H,3,10-16H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine has a molecular weight of 346.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[4-(3-fluoropropoxy)phenyl]methyl]piperazine is sourced from PubChem (CID 3726733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).