4-naphthalen-1-ylpiperazine-1-carboximidamide

C15H18N4 — CID 4741231

IUPAC4-naphthalen-1-ylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C15H18N4/c16-15(17)19-10-8-18(9-11-19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,16,17)
InChIKeyFSQIRUSPFALZEV-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.86
Rot. Bonds1

About 4-naphthalen-1-ylpiperazine-1-carboximidamide

4-naphthalen-1-ylpiperazine-1-carboximidamide (PubChem CID 4741231) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-naphthalen-1-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-naphthalen-1-ylpiperazine-1-carboximidamide
PubChem CID4741231
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-naphthalen-1-ylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(c2cccc3ccccc23)CC1
InChIInChI=1S/C15H18N4/c16-15(17)19-10-8-18(9-11-19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,16,17)
InChIKeyFSQIRUSPFALZEV-UHFFFAOYSA-N
XLogP1.86
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylpiperazine-1-carboximidamide?
The IUPAC name of 4-naphthalen-1-ylpiperazine-1-carboximidamide (CID 4741231) is 4-naphthalen-1-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-naphthalen-1-ylpiperazine-1-carboximidamide?
The canonical SMILES for 4-naphthalen-1-ylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(c2cccc3ccccc23)CC1.
What is the InChIKey of 4-naphthalen-1-ylpiperazine-1-carboximidamide?
The InChIKey is FSQIRUSPFALZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-15(17)19-10-8-18(9-11-19)14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H3,16,17).
What are the key properties of 4-naphthalen-1-ylpiperazine-1-carboximidamide?
4-naphthalen-1-ylpiperazine-1-carboximidamide has a molecular weight of 254.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 4741231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).