4-methylpiperazin-1-amine;toluene

C12H21N3 — CID 175395839

IUPAC4-methylpiperazin-1-amine;toluene
SMILESCN1CCN(N)CC1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H13N3/c1-7-5-3-2-4-6-7;1-7-2-4-8(6)5-3-7/h2-6H,1H3;2-6H2,1H3
InChIKeyWGZZBXKLYYZFFF-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.10
Rot. Bonds

About 4-methylpiperazin-1-amine;toluene

4-methylpiperazin-1-amine;toluene (PubChem CID 175395839) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methylpiperazin-1-amine;toluene.

Molecular Properties

Compound Name4-methylpiperazin-1-amine;toluene
PubChem CID175395839
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methylpiperazin-1-amine;toluene
SMILESCN1CCN(N)CC1.Cc1ccccc1
InChIInChI=1S/C7H8.C5H13N3/c1-7-5-3-2-4-6-7;1-7-2-4-8(6)5-3-7/h2-6H,1H3;2-6H2,1H3
InChIKeyWGZZBXKLYYZFFF-UHFFFAOYSA-N
XLogP1.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpiperazin-1-amine;toluene?
The IUPAC name of 4-methylpiperazin-1-amine;toluene (CID 175395839) is 4-methylpiperazin-1-amine;toluene.
What is the SMILES notation for 4-methylpiperazin-1-amine;toluene?
The canonical SMILES for 4-methylpiperazin-1-amine;toluene is CN1CCN(N)CC1.Cc1ccccc1.
What is the InChIKey of 4-methylpiperazin-1-amine;toluene?
The InChIKey is WGZZBXKLYYZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H13N3/c1-7-5-3-2-4-6-7;1-7-2-4-8(6)5-3-7/h2-6H,1H3;2-6H2,1H3.
What are the key properties of 4-methylpiperazin-1-amine;toluene?
4-methylpiperazin-1-amine;toluene has a molecular weight of 207.32 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperazin-1-amine;toluene is sourced from PubChem (CID 175395839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).