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

C16H26N2O3 — CID 118610472

IUPACtert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=CC=CN(C(=O)OC(C)(C)C)C1C1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyXRIXZIIXIJNCLM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.65
Rot. Bonds2

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

tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate (PubChem CID 118610472) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate
PubChem CID118610472
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate
SMILESCOC1=CC=CN(C(=O)OC(C)(C)C)C1C1CCNCC1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-6,11-12,14,17H,7-10H2,1-4H3
InChIKeyXRIXZIIXIJNCLM-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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Related Compounds

tert-butyl 5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 57355278
Tert-butyl 4-(5-amino-1,2-dihydropyridin-2-yl)piperidine-1-carboxylate
CID 67433663
3-Methoxy-2-piperidin-4-yl-1,2-dihydropyridine
CID 118610409
tert-butyl 6-methoxy-5-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 118610413
tert-butyl 2-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 118610415
tert-butyl 4-[[[(3R)-3-amino-3,4-dihydro-2H-pyran-6-yl]methylamino]methyl]piperidine-1-carboxylate
CID 126745416
tert-butyl 2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 140989412
tert-butyl (2S)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 129374369
tert-butyl (2R)-5-amino-2-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 129374370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate (CID 118610472) is tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate is COC1=CC=CN(C(=O)OC(C)(C)C)C1C1CCNCC1.
What is the InChIKey of tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
The InChIKey is XRIXZIIXIJNCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)21-15(19)18-11-5-6-13(20-4)14(18)12-7-9-17-10-8-12/h5-6,11-12,14,17H,7-10H2,1-4H3.
What are the key properties of tert-butyl 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate?
tert-butyl 3-methoxy-2-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 3-methoxy-2-piperidin-4-yl-2H-pyridine-1-carboxylate is sourced from PubChem (CID 118610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).