1-[(2-methoxyphenyl)methyl]piperazine

C12H18N2O — CID 578192

IUPAC1-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCNCC1
InChIInChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyODXQCAXQWUZKSB-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds3

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

1-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 578192) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]piperazine
PubChem CID578192
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[(2-methoxyphenyl)methyl]piperazine
SMILESCOc1ccccc1CN1CCNCC1
InChIInChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyODXQCAXQWUZKSB-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]piperazine (CID 578192) is 1-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]piperazine is COc1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is ODXQCAXQWUZKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-12-5-3-2-4-11(12)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]piperazine?
1-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 578192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).