1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine

C19H24N2O2 — CID 792273

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-9-8-16(19(14-18)23-2)15-20-10-12-21(13-11-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDESRSLBPLLMDDI-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.03
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 792273) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID792273
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(CN2CCN(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-9-8-16(19(14-18)23-2)15-20-10-12-21(13-11-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyDESRSLBPLLMDDI-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-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine (CID 792273) is 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine is COc1ccc(CN2CCN(c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is DESRSLBPLLMDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-9-8-16(19(14-18)23-2)15-20-10-12-21(13-11-20)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine?
1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine 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-[(2,4-dimethoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 792273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).