3-methyl-1-naphthalen-2-ylpiperazine

C15H18N2 — CID 55104948

IUPAC3-methyl-1-naphthalen-2-ylpiperazine
SMILESCC1CN(c2ccc3ccccc3c2)CCN1
InChIInChI=1S/C15H18N2/c1-12-11-17(9-8-16-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3
InChIKeyZTSQCRVZKRFFIR-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.64
Rot. Bonds1

About 3-methyl-1-naphthalen-2-ylpiperazine

3-methyl-1-naphthalen-2-ylpiperazine (PubChem CID 55104948) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-2-ylpiperazine.

Molecular Properties

Compound Name3-methyl-1-naphthalen-2-ylpiperazine
PubChem CID55104948
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-methyl-1-naphthalen-2-ylpiperazine
SMILESCC1CN(c2ccc3ccccc3c2)CCN1
InChIInChI=1S/C15H18N2/c1-12-11-17(9-8-16-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3
InChIKeyZTSQCRVZKRFFIR-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-2-ylpiperazine?
The IUPAC name of 3-methyl-1-naphthalen-2-ylpiperazine (CID 55104948) is 3-methyl-1-naphthalen-2-ylpiperazine.
What is the SMILES notation for 3-methyl-1-naphthalen-2-ylpiperazine?
The canonical SMILES for 3-methyl-1-naphthalen-2-ylpiperazine is CC1CN(c2ccc3ccccc3c2)CCN1.
What is the InChIKey of 3-methyl-1-naphthalen-2-ylpiperazine?
The InChIKey is ZTSQCRVZKRFFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-11-17(9-8-16-12)15-7-6-13-4-2-3-5-14(13)10-15/h2-7,10,12,16H,8-9,11H2,1H3.
What are the key properties of 3-methyl-1-naphthalen-2-ylpiperazine?
3-methyl-1-naphthalen-2-ylpiperazine has a molecular weight of 226.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-2-ylpiperazine is sourced from PubChem (CID 55104948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).