propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate

C11H22N2O2 — CID 115313197

IUPACpropan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCC(N)CC1C
InChIInChI=1S/C11H22N2O2/c1-8(2)15-11(14)7-13-5-4-10(12)6-9(13)3/h8-10H,4-7,12H2,1-3H3
InChIKeyYXJUFICVGJJLMN-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds3

About propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate

propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate (PubChem CID 115313197) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate
PubChem CID115313197
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namepropan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate
SMILESCC(C)OC(=O)CN1CCC(N)CC1C
InChIInChI=1S/C11H22N2O2/c1-8(2)15-11(14)7-13-5-4-10(12)6-9(13)3/h8-10H,4-7,12H2,1-3H3
InChIKeyYXJUFICVGJJLMN-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate (CID 115313197) is propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate is CC(C)OC(=O)CN1CCC(N)CC1C.
What is the InChIKey of propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate?
The InChIKey is YXJUFICVGJJLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)15-11(14)7-13-5-4-10(12)6-9(13)3/h8-10H,4-7,12H2,1-3H3.
What are the key properties of propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate?
propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-amino-2-methylpiperidin-1-yl)acetate is sourced from PubChem (CID 115313197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).