N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

C20H28FN5O4 — CID 87572807

IUPACN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCN(Cc3ccc(OC)c(OCCF)c3)CC2)nc(OC)n1
InChIInChI=1S/C20H28FN5O4/c1-27-16-5-4-14(12-17(16)30-11-8-21)13-26-9-6-15(7-10-26)22-18-23-19(28-2)25-20(24-18)29-3/h4-5,12,15H,6-11,13H2,1-3H3,(H,22,23,24,25)
InChIKeyATURXOGGXJJMOC-UHFFFAOYSA-N
MW421.47 g/mol
LogP2.32
Rot. Bonds10

About N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine

N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (PubChem CID 87572807) has the molecular formula C20H28FN5O4 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
PubChem CID87572807
Molecular FormulaC20H28FN5O4
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC NameN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NC2CCN(Cc3ccc(OC)c(OCCF)c3)CC2)nc(OC)n1
InChIInChI=1S/C20H28FN5O4/c1-27-16-5-4-14(12-17(16)30-11-8-21)13-26-9-6-15(7-10-26)22-18-23-19(28-2)25-20(24-18)29-3/h4-5,12,15H,6-11,13H2,1-3H3,(H,22,23,24,25)
InChIKeyATURXOGGXJJMOC-UHFFFAOYSA-N
XLogP2.32
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine (CID 87572807) is N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is COc1nc(NC2CCN(Cc3ccc(OC)c(OCCF)c3)CC2)nc(OC)n1.
What is the InChIKey of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
The InChIKey is ATURXOGGXJJMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O4/c1-27-16-5-4-14(12-17(16)30-11-8-21)13-26-9-6-15(7-10-26)22-18-23-19(28-2)25-20(24-18)29-3/h4-5,12,15H,6-11,13H2,1-3H3,(H,22,23,24,25).
What are the key properties of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine?
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine has a molecular weight of 421.47 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 87572807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).