2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide

C12H21F3N4 — CID 65494807

IUPAC2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-19-5-3-18(4-6-19)8-11(1-2-11)7-10(16)17/h1-9H2,(H3,16,17)
InChIKeyUUMANAGEMPEXLN-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide

2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 65494807) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID65494807
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC Name2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-19-5-3-18(4-6-19)8-11(1-2-11)7-10(16)17/h1-9H2,(H3,16,17)
InChIKeyUUMANAGEMPEXLN-UHFFFAOYSA-N
XLogP1.27
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
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

5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 55139806
2,2-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 65258090
2-[1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492312
2-[1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492527
2-[1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65495214
2-[1-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 65537035
2-[1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 65538204
2-[1-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65538768
N'-hydroxy-2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 77071587
2-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-3,3,3-trifluoropropanimidamide
CID 103370640
2-[(4,4-Dimethylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370715
2-[(4-Ethyl-4-methylpiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370727

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 65494807) is 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is UUMANAGEMPEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c13-12(14,15)9-19-5-3-18(4-6-19)8-11(1-2-11)7-10(16)17/h1-9H2,(H3,16,17).
What are the key properties of 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 278.32 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 2-[1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).