1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine

C18H22N2O2 — CID 68843813

IUPAC1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine
SMILESCOc1ccc(N2CCNCC2COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-17-9-7-15(8-10-17)20-12-11-19-13-16(20)14-22-18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3
InChIKeyIYUVMFRWVISAHC-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine

1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine (PubChem CID 68843813) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine
PubChem CID68843813
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine
SMILESCOc1ccc(N2CCNCC2COc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-21-17-9-7-15(8-10-17)20-12-11-19-13-16(20)14-22-18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3
InChIKeyIYUVMFRWVISAHC-UHFFFAOYSA-N
XLogP2.55
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)-2-(phenoxymethyl)piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine (CID 68843813) is 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine is COc1ccc(N2CCNCC2COc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine?
The InChIKey is IYUVMFRWVISAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-17-9-7-15(8-10-17)20-12-11-19-13-16(20)14-22-18-5-3-2-4-6-18/h2-10,16,19H,11-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine?
1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine has a molecular weight of 298.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(phenoxymethyl)piperazine is sourced from PubChem (CID 68843813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).