ethyl 4-amino-3-ethylpiperidine-1-carboxylate

C10H20N2O2 — CID 22278866

IUPACethyl 4-amino-3-ethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C10H20N2O2/c1-3-8-7-12(6-5-9(8)11)10(13)14-4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyJYLLDHXJGYVTOA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds2

About ethyl 4-amino-3-ethylpiperidine-1-carboxylate

ethyl 4-amino-3-ethylpiperidine-1-carboxylate (PubChem CID 22278866) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 4-amino-3-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-ethylpiperidine-1-carboxylate
PubChem CID22278866
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameethyl 4-amino-3-ethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N)C(CC)C1
InChIInChI=1S/C10H20N2O2/c1-3-8-7-12(6-5-9(8)11)10(13)14-4-2/h8-9H,3-7,11H2,1-2H3
InChIKeyJYLLDHXJGYVTOA-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-ethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-amino-3-ethylpiperidine-1-carboxylate (CID 22278866) is ethyl 4-amino-3-ethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-ethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-amino-3-ethylpiperidine-1-carboxylate is CCOC(=O)N1CCC(N)C(CC)C1.
What is the InChIKey of ethyl 4-amino-3-ethylpiperidine-1-carboxylate?
The InChIKey is JYLLDHXJGYVTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8-7-12(6-5-9(8)11)10(13)14-4-2/h8-9H,3-7,11H2,1-2H3.
What are the key properties of ethyl 4-amino-3-ethylpiperidine-1-carboxylate?
ethyl 4-amino-3-ethylpiperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 22278866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).