potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide

C10H18BF3KNO — CID 107394507

IUPACpotassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)(OC)C1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-6-4-5-10(2,8-15)16-3;/h1,4-8H2,2-3H3;/q-1;+1
InChIKeyRHZHLOWZGSNPNS-UHFFFAOYSA-N
MW275.16 g/mol
LogP-0.57
Rot. Bonds4

About potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide

potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide (PubChem CID 107394507) has the molecular formula C10H18BF3KNO and a molecular weight of 275.16 g/mol. Its IUPAC name is potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
PubChem CID107394507
Molecular FormulaC10H18BF3KNO
Molecular Weight275.16 g/mol
Exact Mass275.11
IUPAC Namepotassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCCC(C)(OC)C1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-6-4-5-10(2,8-15)16-3;/h1,4-8H2,2-3H3;/q-1;+1
InChIKeyRHZHLOWZGSNPNS-UHFFFAOYSA-N
XLogP-0.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 5-0.57
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-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003
3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746056
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
potassium trifluoro-[3-(1,4-oxazepan-4-yl)prop-1-en-2-yl]boranuide
CID 106746009
trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
potassium trifluoro-[3-(1,4-thiazepan-4-yl)prop-1-en-2-yl]boranuide
CID 106745855
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(3-methoxy-3-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 107393652
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393709

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide (CID 107394507) is potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide is C=C(CN1CCCC(C)(OC)C1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
The InChIKey is RHZHLOWZGSNPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-6-4-5-10(2,8-15)16-3;/h1,4-8H2,2-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide has a molecular weight of 275.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide is sourced from PubChem (CID 107394507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).