1-(4-phenylmethoxyphenyl)piperazine

C17H20N2O — CID 2735502

IUPAC1-(4-phenylmethoxyphenyl)piperazine
SMILESc1ccc(COc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyBSYHPGDHIZWPSR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-phenylmethoxyphenyl)piperazine

1-(4-phenylmethoxyphenyl)piperazine (PubChem CID 2735502) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)piperazine
PubChem CID2735502
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(4-phenylmethoxyphenyl)piperazine
SMILESc1ccc(COc2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2
InChIKeyBSYHPGDHIZWPSR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)piperazine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)piperazine (CID 2735502) is 1-(4-phenylmethoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)piperazine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)piperazine is c1ccc(COc2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)piperazine?
The InChIKey is BSYHPGDHIZWPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)piperazine?
1-(4-phenylmethoxyphenyl)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-(4-phenylmethoxyphenyl)piperazine is sourced from PubChem (CID 2735502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).