tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate

C12H23NO4 — CID 75952896

IUPACtert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)CO
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)10(15)8-14/h9-10,14-15H,4-8H2,1-3H3
InChIKeyJBQYOMWZWWNBBG-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate

tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate (PubChem CID 75952896) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
PubChem CID75952896
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C(O)CO
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)10(15)8-14/h9-10,14-15H,4-8H2,1-3H3
InChIKeyJBQYOMWZWWNBBG-UHFFFAOYSA-N
XLogP1.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl (2S)-2-[(1R)-1,3-dihydroxypropyl]piperidine-1-carboxylate
CID 97173185
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
tert-butyl (2S)-2-[(1S)-1-hydroxybut-3-ynyl]pyrrolidine-1-carboxylate
CID 101001373
tert-butyl 2-(2-amino-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 83487205
tert-butyl 2-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940
tert-butyl 2-(2-azido-1-hydroxyethyl)piperidine-1-carboxylate
CID 102537768
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl (2R)-2-[(1S)-1-amino-3-hydroxypropyl]piperidine-1-carboxylate
CID 97173182

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate (CID 75952896) is tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C(O)CO.
What is the InChIKey of tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate?
The InChIKey is JBQYOMWZWWNBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(13)10(15)8-14/h9-10,14-15H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate?
tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1,2-dihydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 75952896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).