1-methyl-4-naphthalen-2-ylpiperazine

C15H18N2 — CID 3044599

IUPAC1-methyl-4-naphthalen-2-ylpiperazine
SMILESCN1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H18N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyCIBFBHWSAKKIPN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.59
Rot. Bonds1

About 1-methyl-4-naphthalen-2-ylpiperazine

1-methyl-4-naphthalen-2-ylpiperazine (PubChem CID 3044599) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-methyl-4-naphthalen-2-ylpiperazine.

Molecular Properties

Compound Name1-methyl-4-naphthalen-2-ylpiperazine
PubChem CID3044599
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name1-methyl-4-naphthalen-2-ylpiperazine
SMILESCN1CCN(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C15H18N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3
InChIKeyCIBFBHWSAKKIPN-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-naphthalen-2-ylpiperazine 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-methyl-4-naphthalen-2-ylpiperazine?
The IUPAC name of 1-methyl-4-naphthalen-2-ylpiperazine (CID 3044599) is 1-methyl-4-naphthalen-2-ylpiperazine.
What is the SMILES notation for 1-methyl-4-naphthalen-2-ylpiperazine?
The canonical SMILES for 1-methyl-4-naphthalen-2-ylpiperazine is CN1CCN(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-methyl-4-naphthalen-2-ylpiperazine?
The InChIKey is CIBFBHWSAKKIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-8-10-17(11-9-16)15-7-6-13-4-2-3-5-14(13)12-15/h2-7,12H,8-11H2,1H3.
What are the key properties of 1-methyl-4-naphthalen-2-ylpiperazine?
1-methyl-4-naphthalen-2-ylpiperazine has a molecular weight of 226.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-naphthalen-2-ylpiperazine is sourced from PubChem (CID 3044599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).