N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

C12H21F3N4 — CID 55141943

IUPACN'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-18-5-7-19(8-6-18)11(16)17-10-3-1-2-4-10/h10H,1-9H2,(H2,16,17)
InChIKeyDEWDLWRJQPIAKF-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.42
Rot. Bonds2

About N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide

N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 55141943) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID55141943
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC NameN'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N4/c13-12(14,15)9-18-5-7-19(8-6-18)11(16)17-10-3-1-2-4-10/h10H,1-9H2,(H2,16,17)
InChIKeyDEWDLWRJQPIAKF-UHFFFAOYSA-N
XLogP1.42
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 55141943) is N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is N/C(=N\C1CCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is DEWDLWRJQPIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/c13-12(14,15)9-18-5-7-19(8-6-18)11(16)17-10-3-1-2-4-10/h10H,1-9H2,(H2,16,17).
What are the key properties of N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 278.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 55141943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).