2-(4-methylpiperazin-1-yl)propanehydrazide

C8H18N4O — CID 19778611

IUPAC2-(4-methylpiperazin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCN(C)CC1
InChIInChI=1S/C8H18N4O/c1-7(8(13)10-9)12-5-3-11(2)4-6-12/h7H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyBFHPWZPFHLQRBQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.39
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)propanehydrazide

2-(4-methylpiperazin-1-yl)propanehydrazide (PubChem CID 19778611) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)propanehydrazide
PubChem CID19778611
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-(4-methylpiperazin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCN(C)CC1
InChIInChI=1S/C8H18N4O/c1-7(8(13)10-9)12-5-3-11(2)4-6-12/h7H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyBFHPWZPFHLQRBQ-UHFFFAOYSA-N
XLogP-1.39
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(4-methylpiperazin-1-yl)propanehydrazide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)propanehydrazide (CID 19778611) is 2-(4-methylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)propanehydrazide?
The InChIKey is BFHPWZPFHLQRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-7(8(13)10-9)12-5-3-11(2)4-6-12/h7H,3-6,9H2,1-2H3,(H,10,13).
What are the key properties of 2-(4-methylpiperazin-1-yl)propanehydrazide?
2-(4-methylpiperazin-1-yl)propanehydrazide has a molecular weight of 186.26 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 19778611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).