tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride

C13H25ClN2O4 — CID 75273701

IUPACtert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)C(N)C1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4;/h9-10H,5-8,14H2,1-4H3;1H
InChIKeyADKICUNGKVPZID-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.56
Rot. Bonds2

About tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 75273701) has the molecular formula C13H25ClN2O4 and a molecular weight of 308.81 g/mol. Its IUPAC name is tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID75273701
Molecular FormulaC13H25ClN2O4
Molecular Weight308.81 g/mol
Exact Mass308.15
IUPAC Nametert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
SMILESCOC(=O)C(N)C1CCN(C(=O)OC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4;/h9-10H,5-8,14H2,1-4H3;1H
InChIKeyADKICUNGKVPZID-UHFFFAOYSA-N
XLogP1.56
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride (CID 75273701) is tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride is COC(=O)C(N)C1CCN(C(=O)OC(C)(C)C)CC1.Cl.
What is the InChIKey of tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is ADKICUNGKVPZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.ClH/c1-13(2,3)19-12(17)15-7-5-9(6-8-15)10(14)11(16)18-4;/h9-10H,5-8,14H2,1-4H3;1H.
What are the key properties of tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 75273701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).