N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C10H19F3N4 — CID 109377137

IUPACN,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(10(11,12)13)16-4-6-17(7-5-16)9(14-2)15-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVXEGWZAEYLWCLL-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.76
Rot. Bonds1

About N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109377137) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109377137
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC NameN,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(10(11,12)13)16-4-6-17(7-5-16)9(14-2)15-3/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyVXEGWZAEYLWCLL-UHFFFAOYSA-N
XLogP0.76
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.76
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

1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
CID 101405087
N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967429
N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967431
N'-cyclopropyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967432
N'-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967433
N'-tert-butyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967568
N'-ethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967570
N'-propyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967571
N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376104
N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376105
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376111
N-(3,3-dimethylbutyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376116

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109377137) is N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NC)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is VXEGWZAEYLWCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-8(10(11,12)13)16-4-6-17(7-5-16)9(14-2)15-3/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109377137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).