N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C20H24F4N4O2 — CID 141184288

IUPACN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCC(Nc3nccc(C(F)(F)F)n3)CC2)cc1OCCF
InChIInChI=1S/C20H24F4N4O2/c1-29-16-3-2-14(12-17(16)30-11-7-21)13-28-9-5-15(6-10-28)26-19-25-8-4-18(27-19)20(22,23)24/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,25,26,27)
InChIKeyWEFPYAPIOBPLFQ-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.93
Rot. Bonds8

About N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 141184288) has the molecular formula C20H24F4N4O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID141184288
Molecular FormulaC20H24F4N4O2
Molecular Weight428.43 g/mol
Exact Mass428.18
IUPAC NameN-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCC(Nc3nccc(C(F)(F)F)n3)CC2)cc1OCCF
InChIInChI=1S/C20H24F4N4O2/c1-29-16-3-2-14(12-17(16)30-11-7-21)13-28-9-5-15(6-10-28)26-19-25-8-4-18(27-19)20(22,23)24/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,25,26,27)
InChIKeyWEFPYAPIOBPLFQ-UHFFFAOYSA-N
XLogP3.93
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133386927
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 47054672
2-[[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazole-6-carboxylic acid
CID 87201759
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-6-morpholin-4-ylpyridin-3-amine
CID 24826792
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
[2-[[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-6-yl] methyl carbonate
CID 87201781
N-[1-[(3-ethoxy-4-pentoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 69151737
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-propylpyrimidin-2-amine
CID 68779447
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116
N-[1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172893142
methyl 6-[[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]amino]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 24854736

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 141184288) is N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CN2CCC(Nc3nccc(C(F)(F)F)n3)CC2)cc1OCCF.
What is the InChIKey of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WEFPYAPIOBPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N4O2/c1-29-16-3-2-14(12-17(16)30-11-7-21)13-28-9-5-15(6-10-28)26-19-25-8-4-18(27-19)20(22,23)24/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,25,26,27).
What are the key properties of N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 428.43 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 141184288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).