tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate

C16H26N4O4 — CID 171697727

IUPACtert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
SMILESCOc1nc(OC)nc(N2CCC(CC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O4/c1-16(2,3)24-12(21)10-11-6-8-20(9-7-11)13-17-14(22-4)19-15(18-13)23-5/h11H,6-10H2,1-5H3
InChIKeyQUSWUGLRFLEGGB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.84
Rot. Bonds5

About tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate

tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate (PubChem CID 171697727) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
PubChem CID171697727
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
SMILESCOc1nc(OC)nc(N2CCC(CC(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C16H26N4O4/c1-16(2,3)24-12(21)10-11-6-8-20(9-7-11)13-17-14(22-4)19-15(18-13)23-5/h11H,6-10H2,1-5H3
InChIKeyQUSWUGLRFLEGGB-UHFFFAOYSA-N
XLogP1.84
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate (CID 171697727) is tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate is COc1nc(OC)nc(N2CCC(CC(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate?
The InChIKey is QUSWUGLRFLEGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-16(2,3)24-12(21)10-11-6-8-20(9-7-11)13-17-14(22-4)19-15(18-13)23-5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate?
tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate is sourced from PubChem (CID 171697727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).