tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate

C12H21NO4 — CID 167717714

IUPACtert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1CCO
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-10(15)8-9(13)5-7-14/h9,14H,4-8H2,1-3H3
InChIKeyFWIOBNIDCZWUSK-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate

tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate (PubChem CID 167717714) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
PubChem CID167717714
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)CC1CCO
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-10(15)8-9(13)5-7-14/h9,14H,4-8H2,1-3H3
InChIKeyFWIOBNIDCZWUSK-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
CID 118595373
tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
tert-butyl 2-(3,3-dimethylbutyl)-4-oxopyrrolidine-1-carboxylate
CID 172607958
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopiperidine-1-carboxylate
CID 141148809
tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate
CID 141444126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate (CID 167717714) is tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)CC1CCO.
What is the InChIKey of tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate?
The InChIKey is FWIOBNIDCZWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-10(15)8-9(13)5-7-14/h9,14H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate?
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 167717714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).