1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine

C19H22ClFN2O — CID 57391307

IUPAC1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine
SMILESFc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClFN2O/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyTYJIKVPYZAVEMZ-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.07
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine

1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine (PubChem CID 57391307) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine
PubChem CID57391307
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine
SMILESFc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H22ClFN2O/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2
InChIKeyTYJIKVPYZAVEMZ-UHFFFAOYSA-N
XLogP4.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.07
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-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine (CID 57391307) is 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine is Fc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine?
The InChIKey is TYJIKVPYZAVEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c20-16-2-6-18(7-3-16)23-13-11-22(12-14-23)10-1-15-24-19-8-4-17(21)5-9-19/h2-9H,1,10-15H2.
What are the key properties of 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine?
1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine has a molecular weight of 348.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[3-(4-fluorophenoxy)propyl]piperazine is sourced from PubChem (CID 57391307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).