tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

C15H25N5O4 — CID 68783648

IUPACtert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCOc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc(OC)n1
InChIInChI=1S/C15H25N5O4/c1-15(2,3)24-14(21)20-8-6-10(7-9-20)16-11-17-12(22-4)19-13(18-11)23-5/h10H,6-9H2,1-5H3,(H,16,17,18,19)
InChIKeyBREDXXULIZVPNB-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 68783648) has the molecular formula C15H25N5O4 and a molecular weight of 339.40 g/mol. Its IUPAC name is tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID68783648
Molecular FormulaC15H25N5O4
Molecular Weight339.40 g/mol
Exact Mass339.19
IUPAC Nametert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCOc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc(OC)n1
InChIInChI=1S/C15H25N5O4/c1-15(2,3)24-14(21)20-8-6-10(7-9-20)16-11-17-12(22-4)19-13(18-11)23-5/h10H,6-9H2,1-5H3,(H,16,17,18,19)
InChIKeyBREDXXULIZVPNB-UHFFFAOYSA-N
XLogP1.70
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (CID 68783648) is tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is COc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc(OC)n1.
What is the InChIKey of tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is BREDXXULIZVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O4/c1-15(2,3)24-14(21)20-8-6-10(7-9-20)16-11-17-12(22-4)19-13(18-11)23-5/h10H,6-9H2,1-5H3,(H,16,17,18,19).
What are the key properties of tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 68783648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).