trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide

C14H20BF3NO- — CID 63676415

IUPACtrifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESCc1cc([B-](F)(F)F)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H20BF3NO/c1-12-11-13(15(16,17)18)5-6-14(12)20-10-9-19-7-3-2-4-8-19/h5-6,11H,2-4,7-10H2,1H3/q-1
InChIKeyMRXCYADDJOXPBC-UHFFFAOYSA-N
MW286.13 g/mol
LogP2.91
Rot. Bonds5

About trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide

trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide (PubChem CID 63676415) has the molecular formula C14H20BF3NO- and a molecular weight of 286.13 g/mol. Its IUPAC name is trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
PubChem CID63676415
Molecular FormulaC14H20BF3NO-
Molecular Weight286.13 g/mol
Exact Mass286.16
IUPAC Nametrifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide
SMILESCc1cc([B-](F)(F)F)ccc1OCCN1CCCCC1
InChIInChI=1S/C14H20BF3NO/c1-12-11-13(15(16,17)18)5-6-14(12)20-10-9-19-7-3-2-4-8-19/h5-6,11H,2-4,7-10H2,1H3/q-1
InChIKeyMRXCYADDJOXPBC-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 52.91
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-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 114674892
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
trifluoro-[4-(4-methoxybutoxy)-3-methylphenyl]boranuide
CID 104648209
trifluoro-[3-(2-pyrrolidin-1-ylethoxy)phenyl]boranuide
CID 63678115
trifluoro-(3-methyl-4-pentoxyphenyl)boranuide
CID 63677890
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-[2-(2,4-dimethylphenoxy)ethoxy]ethyl]pyrrolidine
CID 3870944
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
3-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 63214707
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The IUPAC name of trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide (CID 63676415) is trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide.
What is the SMILES notation for trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The canonical SMILES for trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide is Cc1cc([B-](F)(F)F)ccc1OCCN1CCCCC1.
What is the InChIKey of trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
The InChIKey is MRXCYADDJOXPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BF3NO/c1-12-11-13(15(16,17)18)5-6-14(12)20-10-9-19-7-3-2-4-8-19/h5-6,11H,2-4,7-10H2,1H3/q-1.
What are the key properties of trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide?
trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide has a molecular weight of 286.13 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-methyl-4-(2-piperidin-1-ylethoxy)phenyl]boranuide is sourced from PubChem (CID 63676415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).