8-(4-methylpiperazin-1-yl)naphthalen-2-amine

C15H19N3 — CID 23353484

IUPAC8-(4-methylpiperazin-1-yl)naphthalen-2-amine
SMILESCN1CCN(c2cccc3ccc(N)cc23)CC1
InChIInChI=1S/C15H19N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h2-6,11H,7-10,16H2,1H3
InChIKeyFAVIPEGWMXKIIH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.17
Rot. Bonds1

About 8-(4-methylpiperazin-1-yl)naphthalen-2-amine

8-(4-methylpiperazin-1-yl)naphthalen-2-amine (PubChem CID 23353484) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-(4-methylpiperazin-1-yl)naphthalen-2-amine.

Molecular Properties

Compound Name8-(4-methylpiperazin-1-yl)naphthalen-2-amine
PubChem CID23353484
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-(4-methylpiperazin-1-yl)naphthalen-2-amine
SMILESCN1CCN(c2cccc3ccc(N)cc23)CC1
InChIInChI=1S/C15H19N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h2-6,11H,7-10,16H2,1H3
InChIKeyFAVIPEGWMXKIIH-UHFFFAOYSA-N
XLogP2.17
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylpiperazin-1-yl)naphthalen-2-amine?
The IUPAC name of 8-(4-methylpiperazin-1-yl)naphthalen-2-amine (CID 23353484) is 8-(4-methylpiperazin-1-yl)naphthalen-2-amine.
What is the SMILES notation for 8-(4-methylpiperazin-1-yl)naphthalen-2-amine?
The canonical SMILES for 8-(4-methylpiperazin-1-yl)naphthalen-2-amine is CN1CCN(c2cccc3ccc(N)cc23)CC1.
What is the InChIKey of 8-(4-methylpiperazin-1-yl)naphthalen-2-amine?
The InChIKey is FAVIPEGWMXKIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-17-7-9-18(10-8-17)15-4-2-3-12-5-6-13(16)11-14(12)15/h2-6,11H,7-10,16H2,1H3.
What are the key properties of 8-(4-methylpiperazin-1-yl)naphthalen-2-amine?
8-(4-methylpiperazin-1-yl)naphthalen-2-amine has a molecular weight of 241.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylpiperazin-1-yl)naphthalen-2-amine is sourced from PubChem (CID 23353484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).