tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine

C19H32N2O2 — CID 123647865

IUPACtert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCc1ccncc1
InChIInChI=1S/C12H23NO2.C7H9N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;3-6H,2H2,1H3
InChIKeyRXEJLVKMOZOQDB-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine

tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine (PubChem CID 123647865) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
PubChem CID123647865
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
SMILESCCC1CCN(C(=O)OC(C)(C)C)CC1.CCc1ccncc1
InChIInChI=1S/C12H23NO2.C7H9N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;3-6H,2H2,1H3
InChIKeyRXEJLVKMOZOQDB-UHFFFAOYSA-N
XLogP4.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
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CID 170629812
tert-butyl (3S)-3-(pyridin-4-ylmethoxymethyl)pyrrolidine-1-carboxylate
CID 97171377
tert-butyl 4-[dideuterio(pyridin-4-ylmethoxy)methyl]piperidine-1-carboxylate
CID 170943001
tert-butyl (3S)-3-[(pyridin-4-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 10493804
tert-butyl 4-(pyridin-4-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51218821
tert-butyl 4-[2-(4-ethylphenoxy)ethyl]piperidine-1-carboxylate
CID 143255517
tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl (3S)-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167671
tert-butyl 3-(pyridin-4-ylmethylsulfinylmethyl)pyrrolidine-1-carboxylate
CID 71630494
tert-butyl (3S)-3-[methyl(pyridin-4-ylmethyl)amino]pyrrolidine-1-carboxylate
CID 71647440
tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]piperidine-1-carboxylate
CID 15947415

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine?
The IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine (CID 123647865) is tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine.
What is the SMILES notation for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine?
The canonical SMILES for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine is CCC1CCN(C(=O)OC(C)(C)C)CC1.CCc1ccncc1.
What is the InChIKey of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine?
The InChIKey is RXEJLVKMOZOQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C7H9N/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-7-3-5-8-6-4-7/h10H,5-9H2,1-4H3;3-6H,2H2,1H3.
What are the key properties of tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine?
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine has a molecular weight of 320.48 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine is sourced from PubChem (CID 123647865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).