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

C10H20N2O3 — CID 67372954

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

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

tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate (PubChem CID 67372954) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
PubChem CID67372954
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](O)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8+/m1/s1
InChIKeyKREUZCYJWPQPJX-SFYZADRCSA-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-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97357242
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
rac-tert-butyl (3R,4R)-3-amino-4-hydroxypiperidine-1-carboxylate
CID 10584836
t-Butyl N-[(3S,4R)-rel-3-hydroxypiperidin-4-yl]carbamate
CID 10703946
rac-tert-butyl (3R,4R)-4-amino-3-hydroxypiperidine-1-carboxylate
CID 10727458
Tert-butyl 4-(1-amino-2-hydroxyethyl)piperidine-1-carboxylate
CID 22500850
tert-Butyl 4-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 22975819
(3S,4R)-tert-Butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 25417269
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate (CID 67372954) is tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](O)C1.
What is the InChIKey of tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
The InChIKey is KREUZCYJWPQPJX-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of tert-butyl (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate?
tert-butyl (3S,4R)-4-amino-3-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 (3S,4R)-4-amino-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 67372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).