N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide

C15H21F3N4 — CID 111546845

IUPACN'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21F3N4/c1-19-14(20-8-7-15(16,17)18)22-11-9-21(10-12-22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,20)
InChIKeyPPJLNWYJNNWLQF-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.34
Rot. Bonds3

About N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide

N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide (PubChem CID 111546845) has the molecular formula C15H21F3N4 and a molecular weight of 314.36 g/mol. Its IUPAC name is N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
PubChem CID111546845
Molecular FormulaC15H21F3N4
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC NameN'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21F3N4/c1-19-14(20-8-7-15(16,17)18)22-11-9-21(10-12-22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,20)
InChIKeyPPJLNWYJNNWLQF-UHFFFAOYSA-N
XLogP2.34
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.34
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

4-(2-methoxyphenyl)-N'-methyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111983705
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
tert-butyl N-[2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 110962149
N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
CID 111466142
N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
CID 110961891
N'-methyl-4-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 110962115
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961518
N'-methyl-4-(naphthalen-1-ylmethyl)-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111984919
N-[2-(diethylsulfamoyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 111546909
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
N'-methyl-4-(naphthalen-1-ylmethyl)-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111984918
N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-phenylpiperazine-1-carboximidamide
CID 110961665

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide (CID 111546845) is N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide is C/N=C(\NCCC(F)(F)F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide?
The InChIKey is PPJLNWYJNNWLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-19-14(20-8-7-15(16,17)18)22-11-9-21(10-12-22)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,19,20).
What are the key properties of N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide?
N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide has a molecular weight of 314.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111546845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).