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

C20H36N2O6 — CID 70289537

IUPACtert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyHDBNNVKFPAJOOH-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.96
Rot. Bonds

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

tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate (PubChem CID 70289537) has the molecular formula C20H36N2O6 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
PubChem CID70289537
Molecular FormulaC20H36N2O6
Molecular Weight400.52 g/mol
Exact Mass400.26
IUPAC Nametert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyHDBNNVKFPAJOOH-UHFFFAOYSA-N
XLogP2.96
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate (CID 70289537) is tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(O)CC1.
What is the InChIKey of tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
The InChIKey is HDBNNVKFPAJOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C10H17NO3/c2*1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate?
tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate has a molecular weight of 400.52 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 70289537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).