5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

C11H21F3N4 — CID 55139806

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(15)16/h1-9H2,(H3,15,16)
InChIKeyZGJPBUUQHHZBEJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.27
Rot. Bonds6

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (PubChem CID 55139806) has the molecular formula C11H21F3N4 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
PubChem CID55139806
Molecular FormulaC11H21F3N4
Molecular Weight266.31 g/mol
Exact Mass266.17
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(15)16/h1-9H2,(H3,15,16)
InChIKeyZGJPBUUQHHZBEJ-UHFFFAOYSA-N
XLogP1.27
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,4,4-Trifluoro-1-(4-methylpiperazin-1-yl)butan-1-imine
CID 79964690
4-Butyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 163969478
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139805
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
3,3,3-Trifluoro-1-piperidin-1-ylpropan-1-imine
CID 63179133
1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butan-1-imine
CID 63181563

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (CID 55139806) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is [H]/N=C(\N)CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is ZGJPBUUQHHZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(15)16/h1-9H2,(H3,15,16).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 266.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 55139806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).