2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

C10H19F3N4 — CID 114086954

IUPAC2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(C)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N4/c1-7-5-16(2)3-4-17(7)6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H3,14,15)
InChIKeyALIBQRSPZVCDFM-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.74
Rot. Bonds3

About 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide

2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 114086954) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
PubChem CID114086954
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC Name2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(C)CC1C)C(F)(F)F
InChIInChI=1S/C10H19F3N4/c1-7-5-16(2)3-4-17(7)6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H3,14,15)
InChIKeyALIBQRSPZVCDFM-UHFFFAOYSA-N
XLogP0.74
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.74
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 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide (CID 114086954) is 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN1CCN(C)CC1C)C(F)(F)F.
What is the InChIKey of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is ALIBQRSPZVCDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-7-5-16(2)3-4-17(7)6-8(9(14)15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H3,14,15).
What are the key properties of 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide?
2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 252.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperazin-1-yl)methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 114086954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).