ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate

C10H20N2O3 — CID 67445215

IUPACethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O[C@@H](C)N)CC1
InChIInChI=1S/C10H20N2O3/c1-3-14-10(13)12-6-4-9(5-7-12)15-8(2)11/h8-9H,3-7,11H2,1-2H3/t8-/m0/s1
InChIKeyUFZLNZVKJYNVCX-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.93
Rot. Bonds3

About ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate

ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate (PubChem CID 67445215) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate
PubChem CID67445215
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O[C@@H](C)N)CC1
InChIInChI=1S/C10H20N2O3/c1-3-14-10(13)12-6-4-9(5-7-12)15-8(2)11/h8-9H,3-7,11H2,1-2H3/t8-/m0/s1
InChIKeyUFZLNZVKJYNVCX-QMMMGPOBSA-N
XLogP0.93
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate (CID 67445215) is ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate is CCOC(=O)N1CCC(O[C@@H](C)N)CC1.
What is the InChIKey of ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate?
The InChIKey is UFZLNZVKJYNVCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-14-10(13)12-6-4-9(5-7-12)15-8(2)11/h8-9H,3-7,11H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate?
ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S)-1-aminoethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 67445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).