3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide

C14H22N4 — CID 64536264

IUPAC3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
SMILESCN1CCN(CC1)CC(C2=CC=CC=C2)C(=N)N
InChIInChI=1S/C14H22N4/c1-17-7-9-18(10-8-17)11-13(14(15)16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H3,15,16)
InChIKeyPMWWGOCUXFSWGJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.70
Rot. Bonds4

About 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide

3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide (PubChem CID 64536264) has the molecular formula C14H22N4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide
PubChem CID64536264
Molecular FormulaC14H22N4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
SMILESCN1CCN(CC1)CC(C2=CC=CC=C2)C(=N)N
InChIInChI=1S/C14H22N4/c1-17-7-9-18(10-8-17)11-13(14(15)16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H3,15,16)
InChIKeyPMWWGOCUXFSWGJ-UHFFFAOYSA-N
XLogP0.70
TPSA56.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide?
The IUPAC name of 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide (CID 64536264) is 3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide.
What is the SMILES notation for 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide?
The canonical SMILES for 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide is CN1CCN(CC1)CC(C2=CC=CC=C2)C(=N)N.
What is the InChIKey of 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide?
The InChIKey is PMWWGOCUXFSWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17-7-9-18(10-8-17)11-13(14(15)16)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H3,15,16).
What are the key properties of 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide?
3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide has a molecular weight of 246.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-Methylpiperazin-1-yl)-2-phenylpropanimidamide is sourced from PubChem (CID 64536264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).