1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine

C19H24N2O2 — CID 782201

IUPAC1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(N2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-8-5-7-17(14-18)21-12-10-20(11-13-21)15-16-6-3-4-9-19(16)23-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyLVWMIXDULBLQPE-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine

1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 782201) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID782201
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(N2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-8-5-7-17(14-18)21-12-10-20(11-13-21)15-16-6-3-4-9-19(16)23-2/h3-9,14H,10-13,15H2,1-2H3
InChIKeyLVWMIXDULBLQPE-UHFFFAOYSA-N
XLogP3.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine (CID 782201) is 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine is COc1cccc(N2CCN(Cc3ccccc3OC)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is LVWMIXDULBLQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-8-5-7-17(14-18)21-12-10-20(11-13-21)15-16-6-3-4-9-19(16)23-2/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine?
1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 312.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 782201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).