propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate

C12H24N2O2 — CID 63255309

IUPACpropan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCCCC1C(C)N
InChIInChI=1S/C12H24N2O2/c1-9(2)16-12(15)8-14-7-5-4-6-11(14)10(3)13/h9-11H,4-8,13H2,1-3H3
InChIKeyVSIBVYAHPXGAJK-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds4

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

propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate (PubChem CID 63255309) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
PubChem CID63255309
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCCCC1C(C)N
InChIInChI=1S/C12H24N2O2/c1-9(2)16-12(15)8-14-7-5-4-6-11(14)10(3)13/h9-11H,4-8,13H2,1-3H3
InChIKeyVSIBVYAHPXGAJK-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
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
propan-2-yl 2-(2-cyclopentylpyrrolidin-1-yl)acetate
CID 61068973
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119911425
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-cyclohexylacetamide;hydrochloride
CID 119911198
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate (CID 63255309) is propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate is CC(C)OC(=O)CN1CCCCC1C(C)N.
What is the InChIKey of propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
The InChIKey is VSIBVYAHPXGAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)16-12(15)8-14-7-5-4-6-11(14)10(3)13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate?
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 63255309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).