ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate

C11H17N5O2 — CID 91761276

IUPACethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncncn2)CC1
InChIInChI=1S/C11H17N5O2/c1-2-18-11(17)16-5-3-9(4-6-16)15-10-13-7-12-8-14-10/h7-9H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyCTDSCVGGYYAKGR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.90
Rot. Bonds3

About ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate

ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate (PubChem CID 91761276) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate
PubChem CID91761276
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Nameethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2ncncn2)CC1
InChIInChI=1S/C11H17N5O2/c1-2-18-11(17)16-5-3-9(4-6-16)15-10-13-7-12-8-14-10/h7-9H,2-6H2,1H3,(H,12,13,14,15)
InChIKeyCTDSCVGGYYAKGR-UHFFFAOYSA-N
XLogP0.90
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate (CID 91761276) is ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2ncncn2)CC1.
What is the InChIKey of ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate?
The InChIKey is CTDSCVGGYYAKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-18-11(17)16-5-3-9(4-6-16)15-10-13-7-12-8-14-10/h7-9H,2-6H2,1H3,(H,12,13,14,15).
What are the key properties of ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate?
ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3,5-triazin-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 91761276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).