N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine

C12H18F3N5O — CID 82963158

IUPACN-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c1-16-9-17-10(20-6-3-2-4-7-20)19-11(18-9)21-8-5-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19)
InChIKeyYGGNJABBDDVSKD-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine

N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 82963158) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID82963158
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCCC(F)(F)F)nc(N2CCCCC2)n1
InChIInChI=1S/C12H18F3N5O/c1-16-9-17-10(20-6-3-2-4-7-20)19-11(18-9)21-8-5-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19)
InChIKeyYGGNJABBDDVSKD-UHFFFAOYSA-N
XLogP2.23
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine (CID 82963158) is N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is CNc1nc(OCCC(F)(F)F)nc(N2CCCCC2)n1.
What is the InChIKey of N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is YGGNJABBDDVSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-16-9-17-10(20-6-3-2-4-7-20)19-11(18-9)21-8-5-12(13,14)15/h2-8H2,1H3,(H,16,17,18,19).
What are the key properties of N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine?
N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 305.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-piperidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82963158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).