potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide

C13H16BClF3KN2 — CID 106745660

IUPACpotassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCN(c2ccccc2Cl)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BClF3N2.K/c1-11(14(16,17)18)10-19-6-8-20(9-7-19)13-5-3-2-4-12(13)15;/h2-5H,1,6-10H2;/q-1;+1
InChIKeyQECWDZPOTOTJOP-UHFFFAOYSA-N
MW342.64 g/mol
LogP0.41
Rot. Bonds4

About potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide

potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106745660) has the molecular formula C13H16BClF3KN2 and a molecular weight of 342.64 g/mol. Its IUPAC name is potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106745660
Molecular FormulaC13H16BClF3KN2
Molecular Weight342.64 g/mol
Exact Mass342.07
IUPAC Namepotassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCN(c2ccccc2Cl)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BClF3N2.K/c1-11(14(16,17)18)10-19-6-8-20(9-7-19)13-5-3-2-4-12(13)15;/h2-5H,1,6-10H2;/q-1;+1
InChIKeyQECWDZPOTOTJOP-UHFFFAOYSA-N
XLogP0.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
trifluoro-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)prop-1-en-2-yl]boranuide
CID 106746118
potassium trifluoro-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-en-2-yl]boranuide
CID 106745610
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
1-(2-chlorophenyl)-4-prop-1-en-2-ylpiperazine
CID 142506773
potassium trifluoro-[3-(4-methyl-2,3-dihydroquinoxalin-1-yl)prop-1-en-2-yl]boranuide
CID 106746087
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 60649956
3-[4-(2-chlorophenyl)piperazin-1-yl]-2-methylpropanoic acid
CID 43538753
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 2464194
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694

Frequently Asked Questions

What is the IUPAC name of potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide (CID 106745660) is potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCN(c2ccccc2Cl)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is QECWDZPOTOTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BClF3N2.K/c1-11(14(16,17)18)10-19-6-8-20(9-7-19)13-5-3-2-4-12(13)15;/h2-5H,1,6-10H2;/q-1;+1.
What are the key properties of potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 342.64 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106745660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).