1-naphthalen-1-ylpiperazine

C14H16N2 — CID 1342

IUPAC1-naphthalen-1-ylpiperazine
SMILESc1ccc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
InChIKeyVNICFCQJUVFULD-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.25
Rot. Bonds1

About 1-naphthalen-1-ylpiperazine

1-naphthalen-1-ylpiperazine (PubChem CID 1342) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-naphthalen-1-ylpiperazine.

Molecular Properties

Compound Name1-naphthalen-1-ylpiperazine
PubChem CID1342
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-naphthalen-1-ylpiperazine
SMILESc1ccc2c(N3CCNCC3)cccc2c1
InChIInChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
InChIKeyVNICFCQJUVFULD-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-naphthalen-1-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-naphthalen-1-ylpiperazine?
The IUPAC name of 1-naphthalen-1-ylpiperazine (CID 1342) is 1-naphthalen-1-ylpiperazine.
What is the SMILES notation for 1-naphthalen-1-ylpiperazine?
The canonical SMILES for 1-naphthalen-1-ylpiperazine is c1ccc2c(N3CCNCC3)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylpiperazine?
The InChIKey is VNICFCQJUVFULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2.
What are the key properties of 1-naphthalen-1-ylpiperazine?
1-naphthalen-1-ylpiperazine has a molecular weight of 212.30 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 1342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).