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

C13H26N2O2 — CID 63255220

IUPACtert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
SMILESCC(N)C1CCCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(14)11-7-5-6-8-15(11)9-12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyCBWDBQLSKKDMBI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds3

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

tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate (PubChem CID 63255220) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
PubChem CID63255220
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
SMILESCC(N)C1CCCCN1CC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(14)11-7-5-6-8-15(11)9-12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyCBWDBQLSKKDMBI-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119911425
tert-butyl 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetate
CID 56526939
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone
CID 119911959
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
methyl (2S)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 155797910

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate (CID 63255220) is tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate is CC(N)C1CCCCN1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The InChIKey is CBWDBQLSKKDMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(14)11-7-5-6-8-15(11)9-12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate has a molecular weight of 242.36 g/mol, XLogP of 1.53, 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-aminoethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 63255220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).