1-(3-phenoxypropyl)-4-phenylpiperazine

C19H24N2O — CID 3050372

IUPAC1-(3-phenoxypropyl)-4-phenylpiperazine
SMILESc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyXHIUHIDIRNZTAW-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds6

About 1-(3-phenoxypropyl)-4-phenylpiperazine

1-(3-phenoxypropyl)-4-phenylpiperazine (PubChem CID 3050372) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3-phenoxypropyl)-4-phenylpiperazine
PubChem CID3050372
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-(3-phenoxypropyl)-4-phenylpiperazine
SMILESc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyXHIUHIDIRNZTAW-UHFFFAOYSA-N
XLogP3.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
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-phenoxypropyl)-4-phenylpiperazine?
The IUPAC name of 1-(3-phenoxypropyl)-4-phenylpiperazine (CID 3050372) is 1-(3-phenoxypropyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(3-phenoxypropyl)-4-phenylpiperazine?
The canonical SMILES for 1-(3-phenoxypropyl)-4-phenylpiperazine is c1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(3-phenoxypropyl)-4-phenylpiperazine?
The InChIKey is XHIUHIDIRNZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-8-18(9-4-1)21-15-13-20(14-16-21)12-7-17-22-19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2.
What are the key properties of 1-(3-phenoxypropyl)-4-phenylpiperazine?
1-(3-phenoxypropyl)-4-phenylpiperazine has a molecular weight of 296.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)-4-phenylpiperazine is sourced from PubChem (CID 3050372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).