1-[4-(methoxymethyl)phenyl]piperazine

C12H18N2O — CID 19958502

IUPAC1-[4-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H18N2O/c1-15-10-11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyBIQWSZSWXQMIOU-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.24
Rot. Bonds3

About 1-[4-(methoxymethyl)phenyl]piperazine

1-[4-(methoxymethyl)phenyl]piperazine (PubChem CID 19958502) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)phenyl]piperazine
PubChem CID19958502
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[4-(methoxymethyl)phenyl]piperazine
SMILESCOCc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C12H18N2O/c1-15-10-11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyBIQWSZSWXQMIOU-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(methoxymethyl)phenyl]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-[4-(methoxymethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(methoxymethyl)phenyl]piperazine (CID 19958502) is 1-[4-(methoxymethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(methoxymethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(methoxymethyl)phenyl]piperazine is COCc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(methoxymethyl)phenyl]piperazine?
The InChIKey is BIQWSZSWXQMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-15-10-11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[4-(methoxymethyl)phenyl]piperazine?
1-[4-(methoxymethyl)phenyl]piperazine has a molecular weight of 206.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)phenyl]piperazine is sourced from PubChem (CID 19958502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).