1-(2-naphthalen-2-ylethyl)piperazine

C16H20N2 — CID 44592243

IUPAC1-(2-naphthalen-2-ylethyl)piperazine
SMILESc1ccc2cc(CCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H20N2/c1-2-4-16-13-14(5-6-15(16)3-1)7-10-18-11-8-17-9-12-18/h1-6,13,17H,7-12H2
InChIKeyMXNHEKIHSVXJPG-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.29
Rot. Bonds3

About 1-(2-naphthalen-2-ylethyl)piperazine

1-(2-naphthalen-2-ylethyl)piperazine (PubChem CID 44592243) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethyl)piperazine
PubChem CID44592243
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-(2-naphthalen-2-ylethyl)piperazine
SMILESc1ccc2cc(CCN3CCNCC3)ccc2c1
InChIInChI=1S/C16H20N2/c1-2-4-16-13-14(5-6-15(16)3-1)7-10-18-11-8-17-9-12-18/h1-6,13,17H,7-12H2
InChIKeyMXNHEKIHSVXJPG-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-naphthalen-2-ylethyl)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-naphthalen-2-ylethyl)piperazine?
The IUPAC name of 1-(2-naphthalen-2-ylethyl)piperazine (CID 44592243) is 1-(2-naphthalen-2-ylethyl)piperazine.
What is the SMILES notation for 1-(2-naphthalen-2-ylethyl)piperazine?
The canonical SMILES for 1-(2-naphthalen-2-ylethyl)piperazine is c1ccc2cc(CCN3CCNCC3)ccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylethyl)piperazine?
The InChIKey is MXNHEKIHSVXJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-4-16-13-14(5-6-15(16)3-1)7-10-18-11-8-17-9-12-18/h1-6,13,17H,7-12H2.
What are the key properties of 1-(2-naphthalen-2-ylethyl)piperazine?
1-(2-naphthalen-2-ylethyl)piperazine has a molecular weight of 240.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethyl)piperazine is sourced from PubChem (CID 44592243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).