tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine

C15H32N2O3 — CID 143937940

IUPACtert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine
SMILESCC.COC1CCN(C(=O)OC(C)(C)C)CC1.[H]/N=C/C
InChIInChI=1S/C11H21NO3.C2H5N.C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-2-3;1-2/h9H,5-8H2,1-4H3;2-3H,1H3;1-2H3/b;3-2+;
InChIKeyCYHUDNKSXVRKJZ-VQSZBRBVSA-N
MW288.43 g/mol
LogP3.71
Rot. Bonds1

About tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine

tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine (PubChem CID 143937940) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine.

Molecular Properties

Compound Nametert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine
PubChem CID143937940
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine
SMILESCC.COC1CCN(C(=O)OC(C)(C)C)CC1.[H]/N=C/C
InChIInChI=1S/C11H21NO3.C2H5N.C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-2-3;1-2/h9H,5-8H2,1-4H3;2-3H,1H3;1-2H3/b;3-2+;
InChIKeyCYHUDNKSXVRKJZ-VQSZBRBVSA-N
XLogP3.71
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-iminoacetyl)piperidine-1-carboxylate
CID 91577025
tert-butyl 3-methoxypyrrolidine-1-carboxylate;methanol;molecular hydrogen
CID 172596059
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-[[(E)-1-amino-3-iminoprop-1-en-2-yl]oxymethyl]piperidine-1-carboxylate
CID 139457635
tert-butyl (3R)-3-acetyloxypyrrolidine-1-carboxylate
CID 13466617
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine?
The IUPAC name of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine (CID 143937940) is tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine.
What is the SMILES notation for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine?
The canonical SMILES for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine is CC.COC1CCN(C(=O)OC(C)(C)C)CC1.[H]/N=C/C.
What is the InChIKey of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine?
The InChIKey is CYHUDNKSXVRKJZ-VQSZBRBVSA-N. The full InChI is InChI=1S/C11H21NO3.C2H5N.C2H6/c1-11(2,3)15-10(13)12-7-5-9(14-4)6-8-12;1-2-3;1-2/h9H,5-8H2,1-4H3;2-3H,1H3;1-2H3/b;3-2+;.
What are the key properties of tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine?
tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine has a molecular weight of 288.43 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methoxypiperidine-1-carboxylate;ethane;ethanimine is sourced from PubChem (CID 143937940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).