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

C13H23F3N4 — CID 62967430

IUPACN'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)10-19-6-8-20(9-7-19)12(17)18-11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18)
InChIKeyBTDNCBXRWIDKCW-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.81
Rot. Bonds2

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

N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967430) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967430
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC NameN'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N4/c14-13(15,16)10-19-6-8-20(9-7-19)12(17)18-11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18)
InChIKeyBTDNCBXRWIDKCW-UHFFFAOYSA-N
XLogP1.81
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.81
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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Related Compounds

2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
CID 140856269
2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide
CID 140856270
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494480
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 172686304
N'-[N'-[(3S)-3,4,5-trifluorocyclohexyl]carbamimidoyl]piperidine-1-carboximidamide
CID 173924347
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 176520832
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
2-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)guanidine
CID 55064154
N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 55141943
2-Cyclohexyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362739
N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967431
N'-cyclohexyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168703

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967430) is N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is N/C(=N\C1CCCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is BTDNCBXRWIDKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c14-13(15,16)10-19-6-8-20(9-7-19)12(17)18-11-4-2-1-3-5-11/h11H,1-10H2,(H2,17,18).
What are the key properties of N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 292.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).