potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide

C13H18BF3KNO — CID 63677681

IUPACpotassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCCN2CCCCC2)cc1.[K+]
InChIInChI=1S/C13H18BF3NO.K/c15-14(16,17)12-4-6-13(7-5-12)19-11-10-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2;/q-1;+1
InChIKeyDCIDALREEYQXPZ-UHFFFAOYSA-N
MW311.20 g/mol
LogP-0.39
Rot. Bonds5

About potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide

potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide (PubChem CID 63677681) has the molecular formula C13H18BF3KNO and a molecular weight of 311.20 g/mol. Its IUPAC name is potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Namepotassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
PubChem CID63677681
Molecular FormulaC13H18BF3KNO
Molecular Weight311.20 g/mol
Exact Mass311.11
IUPAC Namepotassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESF[B-](F)(F)c1ccc(OCCN2CCCCC2)cc1.[K+]
InChIInChI=1S/C13H18BF3NO.K/c15-14(16,17)12-4-6-13(7-5-12)19-11-10-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2;/q-1;+1
InChIKeyDCIDALREEYQXPZ-UHFFFAOYSA-N
XLogP-0.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 5-0.39
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-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]boranuide
CID 82887204
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
trifluoro-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63676415
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734
1-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]piperidine
CID 70865812

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The IUPAC name of potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide (CID 63677681) is potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide.
What is the SMILES notation for potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The canonical SMILES for potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide is F[B-](F)(F)c1ccc(OCCN2CCCCC2)cc1.[K+].
What is the InChIKey of potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The InChIKey is DCIDALREEYQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BF3NO.K/c15-14(16,17)12-4-6-13(7-5-12)19-11-10-18-8-2-1-3-9-18;/h4-7H,1-3,8-11H2;/q-1;+1.
What are the key properties of potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide has a molecular weight of 311.20 g/mol, XLogP of -0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 63677681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).