potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide

C10H19BF3KN2 — CID 106745621

IUPACpotassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H19BF3N2.K/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10;/h10H,1,4-8H2,2-3H3;/q-1;+1
InChIKeyOINDKTCSCIGNSK-UHFFFAOYSA-N
MW274.18 g/mol
LogP-1.04
Rot. Bonds4

About potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide (PubChem CID 106745621) has the molecular formula C10H19BF3KN2 and a molecular weight of 274.18 g/mol. Its IUPAC name is potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
PubChem CID106745621
Molecular FormulaC10H19BF3KN2
Molecular Weight274.18 g/mol
Exact Mass274.12
IUPAC Namepotassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
SMILESC=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H19BF3N2.K/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10;/h10H,1,4-8H2,2-3H3;/q-1;+1
InChIKeyOINDKTCSCIGNSK-UHFFFAOYSA-N
XLogP-1.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 5-1.04
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

[4-(Dimethylamino)piperidin-1-yl]methyl-trifluoroboranuide
CID 63702267
Trifluoro-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]boranuide
CID 63703301
[(1-Ethylpiperidin-4-yl)-methylamino]methyl-trifluoroboranuide
CID 63704649
Trifluoro-[3-(2-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745546
Trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide
CID 106745622
3-(2,6-Dimethylpiperidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745643
3-(2-Ethylpiperidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106745692
3-[4-(Dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
Trifluoro-[3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745778
Trifluoro-[3-[pentyl(propan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106745886
3-[(1-Ethylpiperidin-4-yl)-methylamino]prop-1-en-2-yl-trifluoroboranuide
CID 106745910
Trifluoro-[3-[methyl-(1-methylpiperidin-3-yl)amino]prop-1-en-2-yl]boranuide
CID 106745992

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide (CID 106745621) is potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide is C=C(CN(C)C1CCN(C)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
The InChIKey is OINDKTCSCIGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BF3N2.K/c1-9(11(12,13)14)8-16(3)10-4-6-15(2)7-5-10;/h10H,1,4-8H2,2-3H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide has a molecular weight of 274.18 g/mol, XLogP of -1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[methyl-(1-methylpiperidin-4-yl)amino]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106745621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).