tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate

C16H27N3O3 — CID 139415874

IUPACtert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h9,11,18H,5-8,10,17H2,1-4H3
InChIKeyHPODIFJHKQVNEV-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.94
Rot. Bonds2

About tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 139415874) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID139415874
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nametert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1
InChIInChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h9,11,18H,5-8,10,17H2,1-4H3
InChIKeyHPODIFJHKQVNEV-UHFFFAOYSA-N
XLogP1.94
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate;hydrochloride
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CID 129374369
tert-butyl 3-amino-4-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 126485258
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tert-butyl 5-amino-6-bromo-2-piperidin-4-yl-2H-pyridine-1-carboxylate
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tert-butyl 6-amino-3-piperidin-4-ylpyridine-2-carboxylate
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tert-butyl 3-[hydroxy(piperidin-4-yl)methyl]azetidine-1-carboxylate
CID 155895775
tert-butyl 1-methyl-3-piperidin-4-ylpyrazole-5-carboxylate
CID 125458178
tert-butyl 3-[(4-piperidin-4-ylpyrazol-1-yl)methyl]azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 139415874) is tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate is COC1=C(C2CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1.
What is the InChIKey of tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is HPODIFJHKQVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-16(2,3)22-15(20)19-10-12(11-5-7-18-8-6-11)13(21-4)9-14(19)17/h9,11,18H,5-8,10,17H2,1-4H3.
What are the key properties of tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 139415874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).