tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate

C12H24N2O2 — CID 170938178

IUPACtert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(N)[C@@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8-7-14(9(2)6-10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10?/m0/s1
InChIKeyGKYCSRSRCBHZOB-QIIDTADFSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds

About tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate

tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate (PubChem CID 170938178) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
PubChem CID170938178
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(N)[C@@H](C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8-7-14(9(2)6-10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10?/m0/s1
InChIKeyGKYCSRSRCBHZOB-QIIDTADFSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (2S)-4-deuterio-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 172693001
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
CID 159053694
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
(5R)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboperoxoic acid
CID 54518628
tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.0]hexane-2-carboxylate
CID 130337237
tert-butyl (2R,5S)-4-chloro-2,5-dimethylpiperazine-1-carboxylate
CID 86683704
tert-butyl (1S,4S,5S)-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 28820406
tert-butyl (1R,4S,6S)-6-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 124710459

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate (CID 170938178) is tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate is C[C@@H]1CC(N)[C@@H](C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate?
The InChIKey is GKYCSRSRCBHZOB-QIIDTADFSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-7-14(9(2)6-10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10?/m0/s1.
What are the key properties of tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate?
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 170938178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).