2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide

C14H27F3N4 — CID 106712101

IUPAC2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N4/c1-13(2,12(18)19)5-3-4-6-20-7-9-21(10-8-20)11-14(15,16)17/h3-11H2,1-2H3,(H3,18,19)
InChIKeyVFQJOQACPYDYJI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.30
Rot. Bonds7

About 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide

2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide (PubChem CID 106712101) has the molecular formula C14H27F3N4 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide
PubChem CID106712101
Molecular FormulaC14H27F3N4
Molecular Weight308.39 g/mol
Exact Mass308.22
IUPAC Name2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N4/c1-13(2,12(18)19)5-3-4-6-20-7-9-21(10-8-20)11-14(15,16)17/h3-11H2,1-2H3,(H3,18,19)
InChIKeyVFQJOQACPYDYJI-UHFFFAOYSA-N
XLogP2.30
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide (CID 106712101) is 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide?
The InChIKey is VFQJOQACPYDYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4/c1-13(2,12(18)19)5-3-4-6-20-7-9-21(10-8-20)11-14(15,16)17/h3-11H2,1-2H3,(H3,18,19).
What are the key properties of 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide?
2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide has a molecular weight of 308.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexanimidamide is sourced from PubChem (CID 106712101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).