3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride

C8H21ClN4 — CID 5458820

IUPAC3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride
SMILESC[NH+]1CCN(CCCNN)CC1.[Cl-]
InChIInChI=1S/C8H20N4.ClH/c1-11-5-7-12(8-6-11)4-2-3-10-9;/h10H,2-9H2,1H3;1H
InChIKeyCQWRQUGGLYCOOW-UHFFFAOYSA-N
MW208.74 g/mol
LogP-5.33
Rot. Bonds4

About 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride

3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride (PubChem CID 5458820) has the molecular formula C8H21ClN4 and a molecular weight of 208.74 g/mol. Its IUPAC name is 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride.

Molecular Properties

Compound Name3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride
PubChem CID5458820
Molecular FormulaC8H21ClN4
Molecular Weight208.74 g/mol
Exact Mass208.15
IUPAC Name3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride
SMILESC[NH+]1CCN(CCCNN)CC1.[Cl-]
InChIInChI=1S/C8H20N4.ClH/c1-11-5-7-12(8-6-11)4-2-3-10-9;/h10H,2-9H2,1H3;1H
InChIKeyCQWRQUGGLYCOOW-UHFFFAOYSA-N
XLogP-5.33
TPSA45.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.74
LogP ≤ 5-5.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride?
The IUPAC name of 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride (CID 5458820) is 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride.
What is the SMILES notation for 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride?
The canonical SMILES for 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride is C[NH+]1CCN(CCCNN)CC1.[Cl-].
What is the InChIKey of 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride?
The InChIKey is CQWRQUGGLYCOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.ClH/c1-11-5-7-12(8-6-11)4-2-3-10-9;/h10H,2-9H2,1H3;1H.
What are the key properties of 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride?
3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride has a molecular weight of 208.74 g/mol, XLogP of -5.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-4-ium-1-yl)propylhydrazine chloride is sourced from PubChem (CID 5458820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).