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

C10H19F3N4 — CID 62967431

IUPACN'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(2)15-9(14)17-5-3-16(4-6-17)7-10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyLZMFWJVOVBDIKO-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.89
Rot. Bonds2

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

N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (PubChem CID 62967431) has the molecular formula C10H19F3N4 and a molecular weight of 252.28 g/mol. Its IUPAC name is N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
PubChem CID62967431
Molecular FormulaC10H19F3N4
Molecular Weight252.28 g/mol
Exact Mass252.16
IUPAC NameN'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4/c1-8(2)15-9(14)17-5-3-16(4-6-17)7-10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15)
InChIKeyLZMFWJVOVBDIKO-UHFFFAOYSA-N
XLogP0.89
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.89
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

(NZ)-N-butan-2-ylidene-N'-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 145657956
N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 55141943
1-Ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62362806
2-Ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364569
1-Propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62364796
1,2-Di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 62364797
N'-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967429
N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967430
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

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The IUPAC name of N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide (CID 62967431) is N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is CC(C)/N=C(\N)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
The InChIKey is LZMFWJVOVBDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4/c1-8(2)15-9(14)17-5-3-16(4-6-17)7-10(11,12)13/h8H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide?
N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide has a molecular weight of 252.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide is sourced from PubChem (CID 62967431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).