3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide

C11H21F3N4 — CID 103370836

IUPAC3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)N(C)C(C)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-7-4-18(5-8(2)17(7)3)6-9(10(15)16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H3,15,16)
InChIKeyBAUFHPYOBXIMIW-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.13
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide (PubChem CID 103370836) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide
PubChem CID103370836
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CC(C)N(C)C(C)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N4/c1-7-4-18(5-8(2)17(7)3)6-9(10(15)16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H3,15,16)
InChIKeyBAUFHPYOBXIMIW-UHFFFAOYSA-N
XLogP1.13
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.13
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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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139805
2-Methyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61604646
2-[Propyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 61691517
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967182
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 62967183
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967357
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967358
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanimidamide
CID 62967530
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
2-Methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-imine
CID 63181564
2-[3-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65536458
2-[4-(Trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65537037

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide (CID 103370836) is 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CC(C)N(C)C(C)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide?
The InChIKey is BAUFHPYOBXIMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-7-4-18(5-8(2)17(7)3)6-9(10(15)16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide has a molecular weight of 266.31 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).