tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate

C10H19NO4 — CID 96532263

IUPACtert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O)C1
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKSUUHOYXJWSXIA-HTQZYQBOSA-N
MW217.26 g/mol
LogP0.35
Rot. Bonds

About tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate

tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate (PubChem CID 96532263) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate
PubChem CID96532263
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O)C1
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKSUUHOYXJWSXIA-HTQZYQBOSA-N
XLogP0.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 4-hydroxypiperidine-1-carboxylate
CID 643502
Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 2764081
1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
tert-Butyl (2S)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933954
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
tert-butyl (2R)-2-(hydroxymethyl)piperidine-1-carboxylate
CID 6933953
tert-butyl (2S,5S)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97357242
Tert-butyl 5-hydroxy-2-methylpiperidine-1-carboxylate
CID 68434339
Tert-butyl 3,3-difluoro-5-hydroxypiperidine-1-carboxylate
CID 73977783
N-Boc-piperidine-2-methanol
CID 2763853
tert-Butyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 21989903

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate (CID 96532263) is tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O)C1.
What is the InChIKey of tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate?
The InChIKey is KSUUHOYXJWSXIA-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11/h7-8,12-13H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate?
tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R)-3,5-dihydroxypiperidine-1-carboxylate is sourced from PubChem (CID 96532263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).