1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine

C23H32N2O — CID 155526307

IUPAC1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESc1ccc(CCCOCCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O/c1-3-9-22(10-4-1)13-7-19-26-20-8-14-24-15-17-25(18-16-24)21-23-11-5-2-6-12-23/h1-6,9-12H,7-8,13-21H2
InChIKeyWLOOPUILLWGRMX-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.84
Rot. Bonds10

About 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine

1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine (PubChem CID 155526307) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine
PubChem CID155526307
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESc1ccc(CCCOCCCN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N2O/c1-3-9-22(10-4-1)13-7-19-26-20-8-14-24-15-17-25(18-16-24)21-23-11-5-2-6-12-23/h1-6,9-12H,7-8,13-21H2
InChIKeyWLOOPUILLWGRMX-UHFFFAOYSA-N
XLogP3.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.84
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-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine?
The IUPAC name of 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine (CID 155526307) is 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine?
The canonical SMILES for 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine is c1ccc(CCCOCCCN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine?
The InChIKey is WLOOPUILLWGRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-9-22(10-4-1)13-7-19-26-20-8-14-24-15-17-25(18-16-24)21-23-11-5-2-6-12-23/h1-6,9-12H,7-8,13-21H2.
What are the key properties of 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine?
1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine has a molecular weight of 352.52 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(3-phenylpropoxy)propyl]piperazine is sourced from PubChem (CID 155526307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).