1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine

C18H22N2O2 — CID 53304148

IUPAC1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine
SMILESCOc1cccc(OCc2ccccc2N2CCNCC2)c1
InChIInChI=1S/C18H22N2O2/c1-21-16-6-4-7-17(13-16)22-14-15-5-2-3-8-18(15)20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyVQKFRKBBQMXODD-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine

1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine (PubChem CID 53304148) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine
PubChem CID53304148
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine
SMILESCOc1cccc(OCc2ccccc2N2CCNCC2)c1
InChIInChI=1S/C18H22N2O2/c1-21-16-6-4-7-17(13-16)22-14-15-5-2-3-8-18(15)20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3
InChIKeyVQKFRKBBQMXODD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine?
The IUPAC name of 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine (CID 53304148) is 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine.
What is the SMILES notation for 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine?
The canonical SMILES for 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine is COc1cccc(OCc2ccccc2N2CCNCC2)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine?
The InChIKey is VQKFRKBBQMXODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-16-6-4-7-17(13-16)22-14-15-5-2-3-8-18(15)20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine?
1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine has a molecular weight of 298.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenoxy)methyl]phenyl]piperazine is sourced from PubChem (CID 53304148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).