tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate

C22H40N2O6 — CID 159207156

IUPACtert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3.C10H17NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h15H,5-9H2,1-4H3;4-7H2,1-3H3
InChIKeyKQAIHSZDZVHJER-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.74
Rot. Bonds1

About tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate

tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate (PubChem CID 159207156) has the molecular formula C22H40N2O6 and a molecular weight of 428.57 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
PubChem CID159207156
Molecular FormulaC22H40N2O6
Molecular Weight428.57 g/mol
Exact Mass428.29
IUPAC Nametert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CCC1(O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3.C10H17NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h15H,5-9H2,1-4H3;4-7H2,1-3H3
InChIKeyKQAIHSZDZVHJER-UHFFFAOYSA-N
XLogP3.74
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 4-methyl-4-(4-oxo-1-piperidyl)piperidine-1-carboxylate
CID 10990126
N,N-bis[(1-tert-butoxycarbonyl-4-piperidinyl)methyl]-methylamine
CID 18770396
4-[2-(4-Oxopiperidin-1-yl)ethyl]piperidine-1-carboxylic acid tert-butyl ester
CID 57819823
4-Hydroxy-4-methyl-[1,4']bipiperidinyl-1'-carboxylic acid tert-butyl ester
CID 67298757
[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 4-oxopiperidine-1-carboxylate
CID 67550729
Tert-butyl 4-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 69565952
Tert-butyl 4-oxopiperidine-1-carboxylate;4-hydroxypiperidine-1-carboxylic acid
CID 69573764
Tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
CID 70289537
1-[2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperidine-4-carboxylic acid
CID 141568112
Tert-butyl 4-hydroxy-4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 156856609
magnesium;tert-butyl N,N-dimethylcarbamate;tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;carbanide;methane;methanol;bromide
CID 157166723
Tert-butyl 3-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
CID 157234222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate (CID 159207156) is tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)CC1.CCC1(O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The InChIKey is KQAIHSZDZVHJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C10H17NO3/c1-5-12(15)6-8-13(9-7-12)10(14)16-11(2,3)4;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h15H,5-9H2,1-4H3;4-7H2,1-3H3.
What are the key properties of tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate has a molecular weight of 428.57 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 159207156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).