tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate

C17H26N2O3 — CID 134853372

IUPACtert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(N(O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)18-12-8-11-17(4,13-18)19(21)14-9-6-5-7-10-14/h5-7,9-10,21H,8,11-13H2,1-4H3
InChIKeyFTPMDUQETSNJCM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.67
Rot. Bonds2

About tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate

tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate (PubChem CID 134853372) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate
PubChem CID134853372
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(N(O)c2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)18-12-8-11-17(4,13-18)19(21)14-9-6-5-7-10-14/h5-7,9-10,21H,8,11-13H2,1-4H3
InChIKeyFTPMDUQETSNJCM-UHFFFAOYSA-N
XLogP3.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(N-methylanilino)-1,7-diazaspiro[2.5]oct-1-ene-7-carboxylate
CID 10903160
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 3-hydroxy-3-(2-methoxyphenyl)piperidine-1-carboxylate
CID 139491021
tert-butyl 3-acetyl-3-benzylpiperidine-1-carboxylate
CID 20592687
3-(benzenesulfonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 22452127
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]piperidine-1-carboxylate
CID 134364509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate (CID 134853372) is tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C)(N(O)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate?
The InChIKey is FTPMDUQETSNJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)22-15(20)18-12-8-11-17(4,13-18)19(21)14-9-6-5-7-10-14/h5-7,9-10,21H,8,11-13H2,1-4H3.
What are the key properties of tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate?
tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(N-hydroxyanilino)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 134853372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).