tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate

C17H27N3O2 — CID 66509368

IUPACtert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccnc(N)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-7-13(8-11-20)4-5-14-6-9-19-15(18)12-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19)
InChIKeyUZBMELGLWLHOPB-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate (PubChem CID 66509368) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
PubChem CID66509368
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccnc(N)c2)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-7-13(8-11-20)4-5-14-6-9-19-15(18)12-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19)
InChIKeyUZBMELGLWLHOPB-UHFFFAOYSA-N
XLogP3.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(2-pyridin-4-ylethyl)piperidine-1-carboxylate
CID 174174191
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[2-(4-methylphenyl)ethyl]piperidine-1-carboxylate
CID 65142715
tert-butyl 4-[2-[3-(2-chloropyrimidin-4-yl)phenyl]ethyl]piperidine-1-carboxylate
CID 86603296
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
CID 164602310
tert-butyl (3S)-3-[2-(4-aminophenyl)ethyl]pyrrolidine-1-carboxylate
CID 67239593
tert-butyl 4-[[4-(2-amino-4-pyridinyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 166513769
tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
CID 134385902
tert-butyl 4-[2-(4-ethynylphenyl)ethyl]piperidine-1-carboxylate
CID 118525540
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate (CID 66509368) is tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCc2ccnc(N)c2)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate?
The InChIKey is UZBMELGLWLHOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)20-10-7-13(8-11-20)4-5-14-6-9-19-15(18)12-14/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H2,18,19).
What are the key properties of tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.24, 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-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 66509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).