potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide

C11H14BClF3KN2 — CID 55233979

IUPACpotassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCN(c2ccc(Cl)cc2)CC1.[K+]
InChIInChI=1S/C11H14BClF3N2.K/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16;/h1-4H,5-9H2;/q-1;+1
InChIKeyRYGQAOFHSFHKIN-UHFFFAOYSA-N
MW316.60 g/mol
LogP-0.15
Rot. Bonds3

About potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide

potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide (PubChem CID 55233979) has the molecular formula C11H14BClF3KN2 and a molecular weight of 316.60 g/mol. Its IUPAC name is potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide
PubChem CID55233979
Molecular FormulaC11H14BClF3KN2
Molecular Weight316.60 g/mol
Exact Mass316.05
IUPAC Namepotassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide
SMILESF[B-](F)(F)CN1CCN(c2ccc(Cl)cc2)CC1.[K+]
InChIInChI=1S/C11H14BClF3N2.K/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16;/h1-4H,5-9H2;/q-1;+1
InChIKeyRYGQAOFHSFHKIN-UHFFFAOYSA-N
XLogP-0.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.60
LogP ≤ 5-0.15
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

1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
CID 175523140
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65457035
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
1-(4-chlorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71602582
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261

Frequently Asked Questions

What is the IUPAC name of potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide?
The IUPAC name of potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide (CID 55233979) is potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide.
What is the SMILES notation for potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide?
The canonical SMILES for potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide is F[B-](F)(F)CN1CCN(c2ccc(Cl)cc2)CC1.[K+].
What is the InChIKey of potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide?
The InChIKey is RYGQAOFHSFHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BClF3N2.K/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16;/h1-4H,5-9H2;/q-1;+1.
What are the key properties of potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide?
potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide has a molecular weight of 316.60 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [4-(4-chlorophenyl)piperazin-1-yl]methyl-trifluoroboranuide is sourced from PubChem (CID 55233979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).