tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate

C13H25NO3 — CID 111106840

IUPACtert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
SMILESCC(O)C1CCCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(15)11-7-5-6-8-14(11)9-12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyYPKVOBMZSTYOKQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate

tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate (PubChem CID 111106840) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
PubChem CID111106840
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
SMILESCC(O)C1CCCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10(15)11-7-5-6-8-14(11)9-12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyYPKVOBMZSTYOKQ-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255220
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
N-cyclopentyl-2-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 95321220
tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
CID 56526939
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 111107052
(1R)-1-[(2R)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321469
(1S)-1-[(2S)-1-(2-bromoprop-2-enyl)piperidin-2-yl]ethanol
CID 95321466
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate (CID 111106840) is tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate is CC(O)C1CCCCN1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate?
The InChIKey is YPKVOBMZSTYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(15)11-7-5-6-8-14(11)9-12(16)17-13(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate?
tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate has a molecular weight of 243.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 111106840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).