ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate

C12H24N2O2 — CID 58311596

IUPACethyl 4-amino-1-tert-butylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(N)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10(15)12(13)6-8-14(9-7-12)11(2,3)4/h5-9,13H2,1-4H3
InChIKeyVSPOGQVETSZLAJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds2

About ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate

ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate (PubChem CID 58311596) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-tert-butylpiperidine-4-carboxylate
PubChem CID58311596
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 4-amino-1-tert-butylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(N)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10(15)12(13)6-8-14(9-7-12)11(2,3)4/h5-9,13H2,1-4H3
InChIKeyVSPOGQVETSZLAJ-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate (CID 58311596) is ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate is CCOC(=O)C1(N)CCN(C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate?
The InChIKey is VSPOGQVETSZLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-10(15)12(13)6-8-14(9-7-12)11(2,3)4/h5-9,13H2,1-4H3.
What are the key properties of ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate?
ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-tert-butylpiperidine-4-carboxylate is sourced from PubChem (CID 58311596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).