tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate

C18H36N2O3 — CID 103271084

IUPACtert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCCOCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C
InChIInChI=1S/C18H36N2O3/c1-7-22-13-16(14(2)3)19-12-15-8-10-20(11-9-15)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyRSWWOYXDYRGPSJ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.28
Rot. Bonds7

About tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 103271084) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID103271084
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Nametert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCCOCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C
InChIInChI=1S/C18H36N2O3/c1-7-22-13-16(14(2)3)19-12-15-8-10-20(11-9-15)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyRSWWOYXDYRGPSJ-UHFFFAOYSA-N
XLogP3.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(1-ethoxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 103271747
tert-butyl 4-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103766005
tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103765978
tert-butyl 4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]piperidine-1-carboxylate
CID 79699897
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 3-[(pentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 104530942
tert-butyl 3-[2-(2-methylpentan-3-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103782504
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[[1-(4-methoxyphenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113250404
tert-butyl 4-[(2-methylbutan-2-ylamino)methyl]piperidine-1-carboxylate
CID 78918218
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate (CID 103271084) is tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate is CCOCC(NCC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C.
What is the InChIKey of tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is RSWWOYXDYRGPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-7-22-13-16(14(2)3)19-12-15-8-10-20(11-9-15)17(21)23-18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 328.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103271084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).