4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C16H18F3N5O2 — CID 558859

IUPAC4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H18F3N5O2/c1-25-15-22-13(21-14(23-15)24-9-3-2-4-10-24)20-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,2-4,9-10H2,1H3,(H,20,21,22,23)
InChIKeyDYHGMPBCWUTQLW-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.51
Rot. Bonds5

About 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 558859) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID558859
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H18F3N5O2/c1-25-15-22-13(21-14(23-15)24-9-3-2-4-10-24)20-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,2-4,9-10H2,1H3,(H,20,21,22,23)
InChIKeyDYHGMPBCWUTQLW-UHFFFAOYSA-N
XLogP3.51
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
1-[4-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
CID 58865645
azane;N-(4-methoxyphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 158450450
4-(4-methyl-1,4-diazepan-1-yl)-6-(trichloromethyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 134261303
N-[4-[chloro(difluoro)methoxy]phenyl]-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 5091828
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
4-(1,4-diazepan-1-yl)-6-(trichloromethyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 118250351
4-(azepan-1-yl)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-iodophenyl)-1,3,5-triazin-2-amine
CID 3482932
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]piperidine-3,5-diamine;hydrochloride
CID 161022740
N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-5-(trifluoromethoxy)benzamide
CID 58865870

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 558859) is 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is DYHGMPBCWUTQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-25-15-22-13(21-14(23-15)24-9-3-2-4-10-24)20-11-5-7-12(8-6-11)26-16(17,18)19/h5-8H,2-4,9-10H2,1H3,(H,20,21,22,23).
What are the key properties of 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 369.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 558859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).