tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate

C12H24N2O2 — CID 125458760

IUPACtert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate
SMILESCN(C)[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)9-6-10(14(4)5)8-13-7-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyYLWZYPUNUCFEMH-UWVGGRQHSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds2

About tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate

tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate (PubChem CID 125458760) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate
PubChem CID125458760
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate
SMILESCN(C)[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)9-6-10(14(4)5)8-13-7-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyYLWZYPUNUCFEMH-UWVGGRQHSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,5R)-5-[methyl(propan-2-yl)amino]piperidine-3-carboxylate
CID 125456848
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl (3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 138393835
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl 3-(azetidin-3-ylmethyl)cyclobutane-1-carboxylate
CID 176906167
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl (3S,5S)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]piperidine-3-carboxylate
CID 125458007
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl (3S,5R)-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]piperidine-3-carboxylate
CID 125455913
tert-butyl (3R,5R)-5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]piperidine-3-carboxylate
CID 125455914
3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
CID 23443973

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate (CID 125458760) is tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate is CN(C)[C@@H]1CNC[C@@H](C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate?
The InChIKey is YLWZYPUNUCFEMH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)9-6-10(14(4)5)8-13-7-9/h9-10,13H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate?
tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,5S)-5-(dimethylamino)piperidine-3-carboxylate is sourced from PubChem (CID 125458760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).