potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide

C8H16BF3KN — CID 63704887

IUPACpotassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide
SMILESCCC1CCCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H16BF3N.K/c1-2-8-5-3-4-6-13(8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1
InChIKeyUGPRCOHPVOUVJQ-UHFFFAOYSA-N
MW233.13 g/mol
LogP-0.36
Rot. Bonds3

About potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide

potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide (PubChem CID 63704887) has the molecular formula C8H16BF3KN and a molecular weight of 233.13 g/mol. Its IUPAC name is potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide
PubChem CID63704887
Molecular FormulaC8H16BF3KN
Molecular Weight233.13 g/mol
Exact Mass233.10
IUPAC Namepotassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide
SMILESCCC1CCCCN1C[B-](F)(F)F.[K+]
InChIInChI=1S/C8H16BF3N.K/c1-2-8-5-3-4-6-13(8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1
InChIKeyUGPRCOHPVOUVJQ-UHFFFAOYSA-N
XLogP-0.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-diethylpiperidine
CID 19604037
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
trifluoro-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]boranuide
CID 63704892
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
1-dodecyl-2-ethylpiperidine
CID 171569899
(2R)-2-ethyl-1-methylpiperidine
CID 67552955

Frequently Asked Questions

What is the IUPAC name of potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide?
The IUPAC name of potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide (CID 63704887) is potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide.
What is the SMILES notation for potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide?
The canonical SMILES for potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide is CCC1CCCCN1C[B-](F)(F)F.[K+].
What is the InChIKey of potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide?
The InChIKey is UGPRCOHPVOUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3N.K/c1-2-8-5-3-4-6-13(8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1.
What are the key properties of potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide?
potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide has a molecular weight of 233.13 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2-ethylpiperidin-1-yl)methyl-trifluoroboranuide is sourced from PubChem (CID 63704887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).