tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate

C13H21N5O2 — CID 170358415

IUPACtert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncncn1)C1CCNCC1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18(10-4-6-14-7-5-10)11-16-8-15-9-17-11/h8-10,14H,4-7H2,1-3H3
InChIKeyRZFGGGABDUQZKP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate

tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate (PubChem CID 170358415) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate
PubChem CID170358415
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Nametert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(c1ncncn1)C1CCNCC1
InChIInChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18(10-4-6-14-7-5-10)11-16-8-15-9-17-11/h8-10,14H,4-7H2,1-3H3
InChIKeyRZFGGGABDUQZKP-UHFFFAOYSA-N
XLogP1.37
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate (CID 170358415) is tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate is CC(C)(C)OC(=O)N(c1ncncn1)C1CCNCC1.
What is the InChIKey of tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate?
The InChIKey is RZFGGGABDUQZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-13(2,3)20-12(19)18(10-4-6-14-7-5-10)11-16-8-15-9-17-11/h8-10,14H,4-7H2,1-3H3.
What are the key properties of tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate?
tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 170358415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).