[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine

C16H27N5 — CID 105247375

IUPAC[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
SMILESCN1CCN(C)C(C(NN)C2CCCc3cccnc32)C1
InChIInChI=1S/C16H27N5/c1-20-9-10-21(2)14(11-20)16(19-17)13-7-3-5-12-6-4-8-18-15(12)13/h4,6,8,13-14,16,19H,3,5,7,9-11,17H2,1-2H3
InChIKeySVMYEUAQAXRQTG-UHFFFAOYSA-N
MW289.43 g/mol
LogP0.58
Rot. Bonds3

About [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine

[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine (PubChem CID 105247375) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
PubChem CID105247375
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine
SMILESCN1CCN(C)C(C(NN)C2CCCc3cccnc32)C1
InChIInChI=1S/C16H27N5/c1-20-9-10-21(2)14(11-20)16(19-17)13-7-3-5-12-6-4-8-18-15(12)13/h4,6,8,13-14,16,19H,3,5,7,9-11,17H2,1-2H3
InChIKeySVMYEUAQAXRQTG-UHFFFAOYSA-N
XLogP0.58
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The IUPAC name of [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine (CID 105247375) is [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine.
What is the SMILES notation for [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The canonical SMILES for [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine is CN1CCN(C)C(C(NN)C2CCCc3cccnc32)C1.
What is the InChIKey of [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
The InChIKey is SVMYEUAQAXRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-20-9-10-21(2)14(11-20)16(19-17)13-7-3-5-12-6-4-8-18-15(12)13/h4,6,8,13-14,16,19H,3,5,7,9-11,17H2,1-2H3.
What are the key properties of [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine?
[(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine has a molecular weight of 289.43 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,4-dimethylpiperazin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]hydrazine is sourced from PubChem (CID 105247375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).