potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide

C10H18BF3KNO — CID 106746097

IUPACpotassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(COC)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyPAJGXRKHCXTDJM-UHFFFAOYSA-N
MW275.16 g/mol
LogP-0.71
Rot. Bonds5

About potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide

potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide (PubChem CID 106746097) has the molecular formula C10H18BF3KNO and a molecular weight of 275.16 g/mol. Its IUPAC name is potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
PubChem CID106746097
Molecular FormulaC10H18BF3KNO
Molecular Weight275.16 g/mol
Exact Mass275.11
IUPAC Namepotassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
SMILESC=C(CN1CCC(COC)CC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2;/h10H,1,3-8H2,2H3;/q-1;+1
InChIKeyPAJGXRKHCXTDJM-UHFFFAOYSA-N
XLogP-0.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 5-0.71
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

trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide
CID 106746098
trifluoro-[3-(4-methoxypiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 106745712
potassium trifluoro-[[4-(methoxymethyl)piperidin-1-yl]methyl]boranuide
CID 63979917
3-[4-(dimethylamino)piperidin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745730
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
potassium trifluoro-[3-(4-methyl-1,4-diazepan-1-yl)prop-1-en-2-yl]boranuide
CID 56655995
1-(2-fluorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973305
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
ethyl 5-[4-(methoxymethyl)piperidin-1-yl]-4-oxopentanoate
CID 103484490

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The IUPAC name of potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide (CID 106746097) is potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide.
What is the SMILES notation for potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The canonical SMILES for potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide is C=C(CN1CCC(COC)CC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
The InChIKey is PAJGXRKHCXTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BF3NO.K/c1-9(11(12,13)14)7-15-5-3-10(4-6-15)8-16-2;/h10H,1,3-8H2,2H3;/q-1;+1.
What are the key properties of potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide?
potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide has a molecular weight of 275.16 g/mol, XLogP of -0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[3-[4-(methoxymethyl)piperidin-1-yl]prop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).