tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate

C12H24N2O2 — CID 100654289

IUPACtert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1N
InChIInChI=1S/C12H24N2O2/c1-8-6-7-14(9(2)10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10-/m1/s1
InChIKeyXPZSDTBGIYPHNS-KXUCPTDWSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds

About tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate

tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate (PubChem CID 100654289) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
PubChem CID100654289
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate
SMILESC[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1N
InChIInChI=1S/C12H24N2O2/c1-8-6-7-14(9(2)10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10-/m1/s1
InChIKeyXPZSDTBGIYPHNS-KXUCPTDWSA-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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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768
tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
tert-butyl (2S)-3-methoxy-2-methylpyrrolidine-1-carboxylate
CID 166870611
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 77230933
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054
tert-butyl 3-amino-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 82381493
tert-butyl (4S,5S)-4-amino-5-methylazepane-1-carboxylate
CID 124523400

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate (CID 100654289) is tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate is C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1N.
What is the InChIKey of tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate?
The InChIKey is XPZSDTBGIYPHNS-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-6-7-14(9(2)10(8)13)11(15)16-12(3,4)5/h8-10H,6-7,13H2,1-5H3/t8-,9+,10-/m1/s1.
What are the key properties of tert-butyl (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate?
tert-butyl (2S,3R,4R)-3-amino-2,4-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 (2S,3R,4R)-3-amino-2,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 100654289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).