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

C19H23F3N4O — CID 133277590

IUPACN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCC(CNc3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C19H23F3N4O/c1-27-16-4-2-15(3-5-16)13-26-10-7-14(8-11-26)12-24-18-23-9-6-17(25-18)19(20,21)22/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,24,25)
InChIKeyXOTJKAZJQVILSC-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.83
Rot. Bonds6

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

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133277590) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133277590
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CN2CCC(CNc3nccc(C(F)(F)F)n3)CC2)cc1
InChIInChI=1S/C19H23F3N4O/c1-27-16-4-2-15(3-5-16)13-26-10-7-14(8-11-26)12-24-18-23-9-6-17(25-18)19(20,21)22/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,24,25)
InChIKeyXOTJKAZJQVILSC-UHFFFAOYSA-N
XLogP3.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133486766
4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]pyrimidin-2-amine
CID 133293203
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133277580
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133386927
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 141184288
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 42958469
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridin-2-amine
CID 133482531
N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595693
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
N-[(3-chlorocyclohexyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 106125511
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133277590) is N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CN2CCC(CNc3nccc(C(F)(F)F)n3)CC2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XOTJKAZJQVILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-27-16-4-2-15(3-5-16)13-26-10-7-14(8-11-26)12-24-18-23-9-6-17(25-18)19(20,21)22/h2-6,9,14H,7-8,10-13H2,1H3,(H,23,24,25).
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 380.41 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133277590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).