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

C11H22BF3KN3 — CID 106746001

IUPACpotassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCN(CCN(C)C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H22BF3N3.K/c1-11(12(13,14)15)10-18-8-6-17(7-9-18)5-4-16(2)3;/h1,4-10H2,2-3H3;/q-1;+1
InChIKeyLYFLUFUHUFFVOQ-UHFFFAOYSA-N
MW303.22 g/mol
LogP-1.89
Rot. Bonds6

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

potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746001) has the molecular formula C11H22BF3KN3 and a molecular weight of 303.22 g/mol. Its IUPAC name is potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746001
Molecular FormulaC11H22BF3KN3
Molecular Weight303.22 g/mol
Exact Mass303.15
IUPAC Namepotassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCN(CCN(C)C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C11H22BF3N3.K/c1-11(12(13,14)15)10-18-8-6-17(7-9-18)5-4-16(2)3;/h1,4-10H2,2-3H3;/q-1;+1
InChIKeyLYFLUFUHUFFVOQ-UHFFFAOYSA-N
XLogP-1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.22
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl-trifluoroboranuide
CID 55233982
3-(azepan-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 56655992
trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
CID 56655901
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
2-[13-[2-(dimethylamino)ethyl]-1,4,7,10,13,16-hexazatricyclo[14.2.2.27,10]docosa-8,17-dien-4-yl]-N,N-dimethylethanamine
CID 155177393
potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 107394507
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
potassium trifluoro-[3-(4-phenylmethoxycarbonylpiperazin-1-yl)prop-1-en-2-yl]boranuide
CID 56655989
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752

Frequently Asked Questions

What is the IUPAC name of potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide (CID 106746001) is potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCN(CCN(C)C)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is LYFLUFUHUFFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BF3N3.K/c1-11(12(13,14)15)10-18-8-6-17(7-9-18)5-4-16(2)3;/h1,4-10H2,2-3H3;/q-1;+1.
What are the key properties of potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide?
potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 303.22 g/mol, XLogP of -1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).