1-naphthalen-1-ylpiperazine;hydrochloride

C14H17ClN2 — CID 2737391

IUPAC1-naphthalen-1-ylpiperazine;hydrochloride
SMILESCl.c1ccc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKeyZYVYPNZFOCZLEM-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.67
Rot. Bonds1

About 1-naphthalen-1-ylpiperazine;hydrochloride

1-naphthalen-1-ylpiperazine;hydrochloride (PubChem CID 2737391) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 1-naphthalen-1-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-ylpiperazine;hydrochloride
PubChem CID2737391
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name1-naphthalen-1-ylpiperazine;hydrochloride
SMILESCl.c1ccc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKeyZYVYPNZFOCZLEM-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-ylpiperazine;hydrochloride 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-naphthalen-1-ylpiperazine;hydrochloride?
The IUPAC name of 1-naphthalen-1-ylpiperazine;hydrochloride (CID 2737391) is 1-naphthalen-1-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-ylpiperazine;hydrochloride?
The canonical SMILES for 1-naphthalen-1-ylpiperazine;hydrochloride is Cl.c1ccc2c(N3CCNCC3)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylpiperazine;hydrochloride?
The InChIKey is ZYVYPNZFOCZLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H.
What are the key properties of 1-naphthalen-1-ylpiperazine;hydrochloride?
1-naphthalen-1-ylpiperazine;hydrochloride has a molecular weight of 248.76 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylpiperazine;hydrochloride is sourced from PubChem (CID 2737391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).