1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine

C19H23FN2O — CID 3069135

IUPAC1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine
SMILESFc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyGUOQPFNLBAXWIZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.42
Rot. Bonds6

About 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine

1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine (PubChem CID 3069135) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine
PubChem CID3069135
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine
SMILESFc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyGUOQPFNLBAXWIZ-UHFFFAOYSA-N
XLogP3.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.42
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-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine (CID 3069135) is 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine is Fc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine?
The InChIKey is GUOQPFNLBAXWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine?
1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine has a molecular weight of 314.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine is sourced from PubChem (CID 3069135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).