N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C14H27F3N4O2 — CID 109376631

IUPACN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCOCCOC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N4O2/c1-12(14(15,16)17)20-5-7-21(8-6-20)13(18-2)19-4-9-23-11-10-22-3/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeySCVAORJADKOMSK-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.79
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376631) has the molecular formula C14H27F3N4O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376631
Molecular FormulaC14H27F3N4O2
Molecular Weight340.39 g/mol
Exact Mass340.21
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCOCCOC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N4O2/c1-12(14(15,16)17)20-5-7-21(8-6-20)13(18-2)19-4-9-23-11-10-22-3/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeySCVAORJADKOMSK-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376631) is N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCCOCCOC)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is SCVAORJADKOMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4O2/c1-12(14(15,16)17)20-5-7-21(8-6-20)13(18-2)19-4-9-23-11-10-22-3/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 340.39 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109376631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).