tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate

C16H25N3O3 — CID 170118913

IUPACtert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
SMILESCOc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1N
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-5-6-11(10-19)13-8-7-12(17)14(18-13)21-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyIZGOJXFMNMRQCH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.79
Rot. Bonds2

About tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate

tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 170118913) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
PubChem CID170118913
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
SMILESCOc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1N
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-5-6-11(10-19)13-8-7-12(17)14(18-13)21-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyIZGOJXFMNMRQCH-UHFFFAOYSA-N
XLogP2.79
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 3-(4-aminopyrimidin-2-yl)piperidine-1-carboxylate
CID 153291320
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 110162076
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
tert-butyl (2S)-2-[(5-amino-6-methoxy-2-pyridinyl)oxymethyl]pyrrolidine-1-carboxylate
CID 66883332
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (3R)-3-[3-(4-amino-3-carbonobromidimidoylphenyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate
CID 139472399

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate (CID 170118913) is tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate is COc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1N.
What is the InChIKey of tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is IZGOJXFMNMRQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(20)19-9-5-6-11(10-19)13-8-7-12(17)14(18-13)21-4/h7-8,11H,5-6,9-10,17H2,1-4H3.
What are the key properties of tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate?
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 170118913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).