tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate

C13H24N2O3 — CID 143388075

IUPACtert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
SMILESC=C(N)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(14)9-17-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h11H,1,5-9,14H2,2-4H3
InChIKeyWDJLNANDLHLZJR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds3

About tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate

tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate (PubChem CID 143388075) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
PubChem CID143388075
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
SMILESC=C(N)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-10(14)9-17-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h11H,1,5-9,14H2,2-4H3
InChIKeyWDJLNANDLHLZJR-UHFFFAOYSA-N
XLogP1.87
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl 4-but-2-ynoxypiperidine-1-carboxylate
CID 154957626
tert-butyl 4-(3-cyano-2-oxopropoxy)piperidine-1-carboxylate
CID 90155873
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate (CID 143388075) is tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate is C=C(N)COC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate?
The InChIKey is WDJLNANDLHLZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(14)9-17-11-5-7-15(8-6-11)12(16)18-13(2,3)4/h11H,1,5-9,14H2,2-4H3.
What are the key properties of tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate?
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate is sourced from PubChem (CID 143388075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).