ethyl 2-amino-2-piperidin-4-ylacetate

C9H18N2O2 — CID 67804381

IUPACethyl 2-amino-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(N)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h7-8,11H,2-6,10H2,1H3
InChIKeySSMAGTJMHOMGMH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.12
Rot. Bonds3

About ethyl 2-amino-2-piperidin-4-ylacetate

ethyl 2-amino-2-piperidin-4-ylacetate (PubChem CID 67804381) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-amino-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-piperidin-4-ylacetate
PubChem CID67804381
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Nameethyl 2-amino-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(N)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h7-8,11H,2-6,10H2,1H3
InChIKeySSMAGTJMHOMGMH-UHFFFAOYSA-N
XLogP-0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-piperidin-4-ylacetate?
The IUPAC name of ethyl 2-amino-2-piperidin-4-ylacetate (CID 67804381) is ethyl 2-amino-2-piperidin-4-ylacetate.
What is the SMILES notation for ethyl 2-amino-2-piperidin-4-ylacetate?
The canonical SMILES for ethyl 2-amino-2-piperidin-4-ylacetate is CCOC(=O)C(N)C1CCNCC1.
What is the InChIKey of ethyl 2-amino-2-piperidin-4-ylacetate?
The InChIKey is SSMAGTJMHOMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-2-13-9(12)8(10)7-3-5-11-6-4-7/h7-8,11H,2-6,10H2,1H3.
What are the key properties of ethyl 2-amino-2-piperidin-4-ylacetate?
ethyl 2-amino-2-piperidin-4-ylacetate has a molecular weight of 186.25 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-piperidin-4-ylacetate is sourced from PubChem (CID 67804381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).