2-[(4-benzylphenoxy)methyl]piperazine

C18H22N2O — CID 46888243

IUPAC2-[(4-benzylphenoxy)methyl]piperazine
SMILESc1ccc(Cc2ccc(OCC3CNCCN3)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)21-14-17-13-19-10-11-20-17/h1-9,17,19-20H,10-14H2
InChIKeyNQEDMJQVVYPBBZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.22
Rot. Bonds5

About 2-[(4-benzylphenoxy)methyl]piperazine

2-[(4-benzylphenoxy)methyl]piperazine (PubChem CID 46888243) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[(4-benzylphenoxy)methyl]piperazine.

Molecular Properties

Compound Name2-[(4-benzylphenoxy)methyl]piperazine
PubChem CID46888243
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[(4-benzylphenoxy)methyl]piperazine
SMILESc1ccc(Cc2ccc(OCC3CNCCN3)cc2)cc1
InChIInChI=1S/C18H22N2O/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)21-14-17-13-19-10-11-20-17/h1-9,17,19-20H,10-14H2
InChIKeyNQEDMJQVVYPBBZ-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylphenoxy)methyl]piperazine?
The IUPAC name of 2-[(4-benzylphenoxy)methyl]piperazine (CID 46888243) is 2-[(4-benzylphenoxy)methyl]piperazine.
What is the SMILES notation for 2-[(4-benzylphenoxy)methyl]piperazine?
The canonical SMILES for 2-[(4-benzylphenoxy)methyl]piperazine is c1ccc(Cc2ccc(OCC3CNCCN3)cc2)cc1.
What is the InChIKey of 2-[(4-benzylphenoxy)methyl]piperazine?
The InChIKey is NQEDMJQVVYPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-4-15(5-3-1)12-16-6-8-18(9-7-16)21-14-17-13-19-10-11-20-17/h1-9,17,19-20H,10-14H2.
What are the key properties of 2-[(4-benzylphenoxy)methyl]piperazine?
2-[(4-benzylphenoxy)methyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylphenoxy)methyl]piperazine is sourced from PubChem (CID 46888243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).