tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate

C16H26N2O3 — CID 118610413

IUPACtert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2CCNCC2)C=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(14(18)20-4)12-7-9-17-10-8-12/h5-6,12,17H,7-11H2,1-4H3
InChIKeyJKRYYBCRFKCLFS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate

tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 118610413) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID118610413
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=C(C2CCNCC2)C=CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(14(18)20-4)12-7-9-17-10-8-12/h5-6,12,17H,7-11H2,1-4H3
InChIKeyJKRYYBCRFKCLFS-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 118610413) is tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate is COC1=C(C2CCNCC2)C=CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is JKRYYBCRFKCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(14(18)20-4)12-7-9-17-10-8-12/h5-6,12,17H,7-11H2,1-4H3.
What are the key properties of tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 118610413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).