3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

C11H21F3N4 — CID 62967183

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-2-9(7-10(15)16)18-5-3-17(4-6-18)8-11(12,13)14/h9H,2-8H2,1H3,(H3,15,16)
InChIKeyBOBNIVKPUKJCLX-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.27
Rot. Bonds5

About 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (PubChem CID 62967183) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
PubChem CID62967183
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c1-2-9(7-10(15)16)18-5-3-17(4-6-18)8-11(12,13)14/h9H,2-8H2,1H3,(H3,15,16)
InChIKeyBOBNIVKPUKJCLX-UHFFFAOYSA-N
XLogP1.27
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.27
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

1-[2-(1,1-difluoroethyl)-4H-imidazol-5-yl]-N-propylpiperidin-4-amine
CID 144382521
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139805
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 55139806
3-[Methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60891754
3-[Ethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604556
3-[Propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604559
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604645
5-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604678
2-[Ethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61698258
2-[Propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61698568
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 61698634

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (CID 62967183) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is BOBNIVKPUKJCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c1-2-9(7-10(15)16)18-5-3-17(4-6-18)8-11(12,13)14/h9H,2-8H2,1H3,(H3,15,16).
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 266.31 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 62967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).