tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate

C11H21NO3 — CID 60689789

IUPACtert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)8-12-6-4-5-9(13)7-12/h9,13H,4-8H2,1-3H3
InChIKeyYLHRLEPEETWKBW-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.78
Rot. Bonds2

About tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate

tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate (PubChem CID 60689789) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
PubChem CID60689789
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCCC(O)C1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)8-12-6-4-5-9(13)7-12/h9,13H,4-8H2,1-3H3
InChIKeyYLHRLEPEETWKBW-UHFFFAOYSA-N
XLogP0.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999559
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
tert-butyl 2-[3-(methylamino)pyrrolidin-1-yl]acetate
CID 115300552
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
tert-butyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetate
CID 115314315
tert-butyl 2-[(3S)-3-methylpiperazin-1-yl]acetate
CID 104976913
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate (CID 60689789) is tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate is CC(C)(C)OC(=O)CN1CCCC(O)C1.
What is the InChIKey of tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate?
The InChIKey is YLHRLEPEETWKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)8-12-6-4-5-9(13)7-12/h9,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate?
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate is sourced from PubChem (CID 60689789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).