1-[2-(phenoxymethyl)phenyl]piperazine

C17H20N2O — CID 45483466

IUPAC1-[2-(phenoxymethyl)phenyl]piperazine
SMILESc1ccc(OCc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-14-15-6-4-5-9-17(15)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyWLIGTTARDYGFBV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds4

About 1-[2-(phenoxymethyl)phenyl]piperazine

1-[2-(phenoxymethyl)phenyl]piperazine (PubChem CID 45483466) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)phenyl]piperazine
PubChem CID45483466
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-[2-(phenoxymethyl)phenyl]piperazine
SMILESc1ccc(OCc2ccccc2N2CCNCC2)cc1
InChIInChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-14-15-6-4-5-9-17(15)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyWLIGTTARDYGFBV-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(phenoxymethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)phenyl]piperazine?
The IUPAC name of 1-[2-(phenoxymethyl)phenyl]piperazine (CID 45483466) is 1-[2-(phenoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-(phenoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-(phenoxymethyl)phenyl]piperazine is c1ccc(OCc2ccccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(phenoxymethyl)phenyl]piperazine?
The InChIKey is WLIGTTARDYGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-7-16(8-3-1)20-14-15-6-4-5-9-17(15)19-12-10-18-11-13-19/h1-9,18H,10-14H2.
What are the key properties of 1-[2-(phenoxymethyl)phenyl]piperazine?
1-[2-(phenoxymethyl)phenyl]piperazine has a molecular weight of 268.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)phenyl]piperazine is sourced from PubChem (CID 45483466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).