N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C20H37F3N4O — CID 109378916

IUPACN-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N4O/c1-17(20(21,22)23)26-12-14-27(15-13-26)19(24-2)25-11-7-4-8-16-28-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,24,25)
InChIKeyZUXZINYIAURORN-UHFFFAOYSA-N
MW406.54 g/mol
LogP3.65
Rot. Bonds8

About N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109378916) has the molecular formula C20H37F3N4O and a molecular weight of 406.54 g/mol. Its IUPAC name is N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109378916
Molecular FormulaC20H37F3N4O
Molecular Weight406.54 g/mol
Exact Mass406.29
IUPAC NameN-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C20H37F3N4O/c1-17(20(21,22)23)26-12-14-27(15-13-26)19(24-2)25-11-7-4-8-16-28-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,24,25)
InChIKeyZUXZINYIAURORN-UHFFFAOYSA-N
XLogP3.65
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
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

N-ethyl-N'-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376830
N-ethyl-N'-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376831
N-ethyl-N'-(5-methoxypentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376904
N-ethyl-N'-(5-methoxypentyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376905
N-(5-methoxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377146
N-(5-methoxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377147
N'-methyl-N-(oxolan-2-ylmethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377353
N'-methyl-N-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377562
N'-methyl-N-[2-(oxolan-2-yl)ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377563
N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378915
N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378953
N-(3-cyclohexyloxypropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378954

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109378916) is N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCCCCCOC1CCCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is ZUXZINYIAURORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F3N4O/c1-17(20(21,22)23)26-12-14-27(15-13-26)19(24-2)25-11-7-4-8-16-28-18-9-5-3-6-10-18/h17-18H,3-16H2,1-2H3,(H,24,25).
What are the key properties of N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 406.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyloxypentyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109378916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).