trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide

C11H20BF3NO2- — CID 140887943

IUPACtrifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide
SMILESCC(C)(C)OC(=O)C1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C11H20BF3NO2/c1-11(2,3)18-10(17)9-4-6-16(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3/q-1
InChIKeyAYTJVMJBBCCEMW-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.43
Rot. Bonds3

About trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide

trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide (PubChem CID 140887943) has the molecular formula C11H20BF3NO2- and a molecular weight of 266.09 g/mol. Its IUPAC name is trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide
PubChem CID140887943
Molecular FormulaC11H20BF3NO2-
Molecular Weight266.09 g/mol
Exact Mass266.15
IUPAC Nametrifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide
SMILESCC(C)(C)OC(=O)C1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C11H20BF3NO2/c1-11(2,3)18-10(17)9-4-6-16(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3/q-1
InChIKeyAYTJVMJBBCCEMW-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-prop-2-ynylpiperidine-4-carboxylate
CID 126454918
tert-butyl 1-(acetylsulfanylmethyl)piperidine-4-carboxylate
CID 150933805
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
CID 161073705
tert-butyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 90085069
(2-methylpropan-2-yl)oxycarbonyl 1-ethylpiperidine-4-carboxylate
CID 57101274
tert-butyl 1-(oxiran-2-ylmethyl)pyrrolidine-3-carboxylate
CID 71628648
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 4-[(4-cyanopiperidin-1-yl)methyl]cyclohexane-1-carboxylate
CID 141128389
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide (CID 140887943) is trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide is CC(C)(C)OC(=O)C1CCN(C[B-](F)(F)F)CC1.
What is the InChIKey of trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide?
The InChIKey is AYTJVMJBBCCEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BF3NO2/c1-11(2,3)18-10(17)9-4-6-16(7-5-9)8-12(13,14)15/h9H,4-8H2,1-3H3/q-1.
What are the key properties of trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide?
trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide has a molecular weight of 266.09 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]methyl]boranuide is sourced from PubChem (CID 140887943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).