tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate

C10H20N2O3 — CID 10584836

IUPACtert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
InChIKeyLUQURLQDYAJECW-HTQZYQBOSA-N
MW216.28 g/mol
LogP0.32
Rot. Bonds

About tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate

tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate (PubChem CID 10584836) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
PubChem CID10584836
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1
InChIKeyLUQURLQDYAJECW-HTQZYQBOSA-N
XLogP0.32
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
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
tert-Butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 24820286
(+-)-1-Amino-3-n-(4'-boc-piperazinyl)-2-propanol
CID 2756369
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate
CID 11106786
tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 18933038
4-N-Boc-2-hydroxymethylpiperazine
CID 22386508
(S)-1-Boc-2-hydroxymethyl-piperazine
CID 22884145
(R)-2-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
CID 24820219
tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
CID 24820294

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate (CID 10584836) is tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](N)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate?
The InChIKey is LUQURLQDYAJECW-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate?
tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 10584836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).