tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate

C14H25NO4 — CID 91485138

IUPACtert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)C[C@H]1C[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9(2)6-10-7-11(16)8-12(17)15(10)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyURONIBOPDDNQEG-WDEREUQCSA-N
MW271.36 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate

tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate (PubChem CID 91485138) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
PubChem CID91485138
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
SMILESCC(C)C[C@H]1C[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9(2)6-10-7-11(16)8-12(17)15(10)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3/t10-,11+/m0/s1
InChIKeyURONIBOPDDNQEG-WDEREUQCSA-N
XLogP2.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 11493148
tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
CID 134949805
1-O-tert-butyl 3-O-ethyl 6-ethyl-4-hydroxypiperidine-1,3-dicarboxylate
CID 15696595
tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
CID 54533699
tert-butyl (3S)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
CID 57176022
7-[(2R)-2-(3-hydroxy-7-methyloctyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804738
Tert-butyl 6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
CID 67770563
tert-butyl (4R,6R)-4-hydroxy-2-oxo-6-propan-2-ylpiperidine-1-carboxylate
CID 102357346
Tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate
CID 118679038
tert-butyl (4S,6R)-4-hydroxy-2-oxo-6-propan-2-ylpiperidine-1-carboxylate
CID 172372464
tert-butyl (2S)-2-ethyl-4-hydroxy-6-oxopiperidine-1-carboxylate
CID 172372550
Tert-butyl 4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
CID 5246679

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate (CID 91485138) is tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate is CC(C)C[C@H]1C[C@@H](O)CC(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
The InChIKey is URONIBOPDDNQEG-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)6-10-7-11(16)8-12(17)15(10)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate?
tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-hydroxy-2-(2-methylpropyl)-6-oxopiperidine-1-carboxylate is sourced from PubChem (CID 91485138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).