tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate

C14H25NO4 — CID 118679038

IUPACtert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate
SMILESCC(C)C(O)C1CCCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H25NO4/c1-9(2)11(16)10-7-6-8-15(12(10)17)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3
InChIKeyAQCIVZCVTBDARE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.18
Rot. Bonds2

About tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate

tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate (PubChem CID 118679038) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate
PubChem CID118679038
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate
SMILESCC(C)C(O)C1CCCN(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H25NO4/c1-9(2)11(16)10-7-6-8-15(12(10)17)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3
InChIKeyAQCIVZCVTBDARE-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate (CID 118679038) is tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate is CC(C)C(O)C1CCCN(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate?
The InChIKey is AQCIVZCVTBDARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)11(16)10-7-6-8-15(12(10)17)13(18)19-14(3,4)5/h9-11,16H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate?
tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-hydroxy-2-methylpropyl)-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 118679038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).