tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate

C13H26N2O3 — CID 126486338

IUPACtert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate
SMILESC[C@H]1CN(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)O
InChIInChI=1S/C13H26N2O3/c1-9-7-15(6)8-10(13(9,5)17)14-11(16)18-12(2,3)4/h9-10,17H,7-8H2,1-6H3,(H,14,16)/t9-,10+,13-/m0/s1
InChIKeyXOLSOIPIUOJCLL-CWSCBRNRSA-N
MW258.36 g/mol
LogP1.21
Rot. Bonds1

About tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate

tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate (PubChem CID 126486338) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate
PubChem CID126486338
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate
SMILESC[C@H]1CN(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)O
InChIInChI=1S/C13H26N2O3/c1-9-7-15(6)8-10(13(9,5)17)14-11(16)18-12(2,3)4/h9-10,17H,7-8H2,1-6H3,(H,14,16)/t9-,10+,13-/m0/s1
InChIKeyXOLSOIPIUOJCLL-CWSCBRNRSA-N
XLogP1.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
CID 156824590
tert-butyl N-(4-hydroxy-1-methylpyrrolidin-3-yl)carbamate
CID 122463347
tert-butyl 4-hydroxy-3,4,5-trimethylpiperidine-1-carboxylate
CID 162451549
[2-[1-[4-hydroxy-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-nitroprop-1-enyl]cyclopenten-1-yl]-oxidoazanium
CID 147254146
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]carbamate
CID 157038702
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate (CID 126486338) is tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate is C[C@H]1CN(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(C)O.
What is the InChIKey of tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate?
The InChIKey is XOLSOIPIUOJCLL-CWSCBRNRSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9-7-15(6)8-10(13(9,5)17)14-11(16)18-12(2,3)4/h9-10,17H,7-8H2,1-6H3,(H,14,16)/t9-,10+,13-/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate?
tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S,5S)-4-hydroxy-1,4,5-trimethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 126486338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).