tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate

C14H28N2O2 — CID 103353154

IUPACtert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
SMILESCCC1CCN(CC(=O)OC(C)(C)C)C(CN)C1
InChIInChI=1S/C14H28N2O2/c1-5-11-6-7-16(12(8-11)9-15)10-13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyAHFQKVZGWPYKLU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate

tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate (PubChem CID 103353154) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
PubChem CID103353154
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate
SMILESCCC1CCN(CC(=O)OC(C)(C)C)C(CN)C1
InChIInChI=1S/C14H28N2O2/c1-5-11-6-7-16(12(8-11)9-15)10-13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3
InChIKeyAHFQKVZGWPYKLU-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate (CID 103353154) is tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate is CCC1CCN(CC(=O)OC(C)(C)C)C(CN)C1.
What is the InChIKey of tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate?
The InChIKey is AHFQKVZGWPYKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-11-6-7-16(12(8-11)9-15)10-13(17)18-14(2,3)4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate?
tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetate is sourced from PubChem (CID 103353154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).