tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate

C21H34N2O3 — CID 58420812

IUPACtert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)N(OCc2ccccc2)C(C)(C)C1
InChIInChI=1S/C21H34N2O3/c1-19(2,3)26-18(24)22-17-13-20(4,5)23(21(6,7)14-17)25-15-16-11-9-8-10-12-16/h8-12,17H,13-15H2,1-7H3,(H,22,24)
InChIKeyJCSVTPMMRIXXEE-UHFFFAOYSA-N
MW362.51 g/mol
LogP4.66
Rot. Bonds4

About tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate

tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate (PubChem CID 58420812) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate
PubChem CID58420812
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Nametert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(C)(C)N(OCc2ccccc2)C(C)(C)C1
InChIInChI=1S/C21H34N2O3/c1-19(2,3)26-18(24)22-17-13-20(4,5)23(21(6,7)14-17)25-15-16-11-9-8-10-12-16/h8-12,17H,13-15H2,1-7H3,(H,22,24)
InChIKeyJCSVTPMMRIXXEE-UHFFFAOYSA-N
XLogP4.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)acetamide
CID 102049531
benzyl (5S)-3,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 142751835
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044
benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
tert-butyl N-(8-phenylmethoxy-1-oxaspiro[4.5]decan-3-yl)carbamate
CID 166168690
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
benzyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936690
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate (CID 58420812) is tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CC(C)(C)N(OCc2ccccc2)C(C)(C)C1.
What is the InChIKey of tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate?
The InChIKey is JCSVTPMMRIXXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-19(2,3)26-18(24)22-17-13-20(4,5)23(21(6,7)14-17)25-15-16-11-9-8-10-12-16/h8-12,17H,13-15H2,1-7H3,(H,22,24).
What are the key properties of tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate?
tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate has a molecular weight of 362.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)carbamate is sourced from PubChem (CID 58420812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).