tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate

C11H22N2O3 — CID 129222368

IUPACtert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKeyVYOYBSJHTACSNI-BDAKNGLRSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds1

About tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate

tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate (PubChem CID 129222368) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate
PubChem CID129222368
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate
SMILESCO[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1
InChIKeyVYOYBSJHTACSNI-BDAKNGLRSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
rac-tert-butyl N-[(3R,4R)-4-aminooxan-3-yl]carbamate
CID 97135520
rac-tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
CID 10584836
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
Tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
CID 22708830
1,1-Dimethylethyl 2-(2-aminoethyl)-4-morpholinecarboxylate
CID 23562635
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
3-Aminomethyl-4-boc-morpholine
CID 44182325
rac-tert-butyl (4aR,8aS)-octahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carboxylate
CID 53395326

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate (CID 129222368) is tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate is CO[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate?
The InChIKey is VYOYBSJHTACSNI-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-8(12)5-9(7-13)15-4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate?
tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-amino-5-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 129222368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).