potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide

C8H16BF3KNO — CID 63979917

IUPACpotassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
SMILESCOCC1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C8H16BF3NO.K/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1
InChIKeyXIEWTZVHYKUYOM-UHFFFAOYSA-N
MW249.13 g/mol
LogP-1.26
Rot. Bonds4

About potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide

potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide (PubChem CID 63979917) has the molecular formula C8H16BF3KNO and a molecular weight of 249.13 g/mol. Its IUPAC name is potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
PubChem CID63979917
Molecular FormulaC8H16BF3KNO
Molecular Weight249.13 g/mol
Exact Mass249.09
IUPAC Namepotassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
SMILESCOCC1CCN(C[B-](F)(F)F)CC1.[K+]
InChIInChI=1S/C8H16BF3NO.K/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1
InChIKeyXIEWTZVHYKUYOM-UHFFFAOYSA-N
XLogP-1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 5-1.26
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

potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746097
trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746098
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
CID 63972885
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
1-cyclopropyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971523
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 63972792
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide?
The IUPAC name of potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide (CID 63979917) is potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide.
What is the SMILES notation for potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide?
The canonical SMILES for potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide is COCC1CCN(C[B-](F)(F)F)CC1.[K+].
What is the InChIKey of potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide?
The InChIKey is XIEWTZVHYKUYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BF3NO.K/c1-14-6-8-2-4-13(5-3-8)7-9(10,11)12;/h8H,2-7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide?
potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide has a molecular weight of 249.13 g/mol, XLogP of -1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide is sourced from PubChem (CID 63979917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).