1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine

C17H22N2O — CID 783724

IUPAC1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(C)CC1
InChIInChI=1S/C17H22N2O/c1-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20-2/h3-8H,9-13H2,1-2H3
InChIKeyVTTVSXRLXLDZGK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.60
Rot. Bonds3

About 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine

1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine (PubChem CID 783724) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine
PubChem CID783724
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine
SMILESCOc1ccc2ccccc2c1CN1CCN(C)CC1
InChIInChI=1S/C17H22N2O/c1-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20-2/h3-8H,9-13H2,1-2H3
InChIKeyVTTVSXRLXLDZGK-UHFFFAOYSA-N
XLogP2.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine 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-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine (CID 783724) is 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine is COc1ccc2ccccc2c1CN1CCN(C)CC1.
What is the InChIKey of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine?
The InChIKey is VTTVSXRLXLDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-9-11-19(12-10-18)13-16-15-6-4-3-5-14(15)7-8-17(16)20-2/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine?
1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine has a molecular weight of 270.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxynaphthalen-1-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).