1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C68H86ClF17N16O4S — CID 160780842

IUPAC1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCCCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1.NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF3N3O.C13H18F3N3.C12H15F5N4.C12H16F3N3O2S.C12H16F3N3O/c20-15-4-2-14(3-5-15)18(27)7-9-26(10-8-18)16(11-24)13-1-6-17(25-12-13)19(21,22)23;14-13(15,16)12-5-4-10(9-18-12)11(8-17)19-6-2-1-3-7-19;13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-21(19,20)6-4-18;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-19-6-4-18/h1-6,12,16,27H,7-11,24H2;4-5,9,11H,1-3,6-8,17H2;6-7,9H,1-5,18H2;1-2,8,10H,3-7,16H2;1-2,8,10H,3-7,16H2
InChIKeySAOALHDOCQZAID-UHFFFAOYSA-N
MW1582.03 g/mol
LogP10.81
Rot. Bonds16

About 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 160780842) has the molecular formula C68H86ClF17N16O4S and a molecular weight of 1582.03 g/mol. Its IUPAC name is 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID160780842
Molecular FormulaC68H86ClF17N16O4S
Molecular Weight1582.03 g/mol
Exact Mass1580.62
IUPAC Name1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCCCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1.NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H21ClF3N3O.C13H18F3N3.C12H15F5N4.C12H16F3N3O2S.C12H16F3N3O/c20-15-4-2-14(3-5-15)18(27)7-9-26(10-8-18)16(11-24)13-1-6-17(25-12-13)19(21,22)23;14-13(15,16)12-5-4-10(9-18-12)11(8-17)19-6-2-1-3-7-19;13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-21(19,20)6-4-18;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-19-6-4-18/h1-6,12,16,27H,7-11,24H2;4-5,9,11H,1-3,6-8,17H2;6-7,9H,1-5,18H2;1-2,8,10H,3-7,16H2;1-2,8,10H,3-7,16H2
InChIKeySAOALHDOCQZAID-UHFFFAOYSA-N
XLogP10.81
TPSA287.24 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.03
LogP ≤ 510.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine with MolForge

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Related Compounds

6-(6-chloro-2-pyridinyl)-4-N-[3-(2-cyclopropylethylsulfonyl)phenyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(2,2-dimethylpropylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;6-(6-chloro-2-pyridinyl)-2-N-(1-methoxypropan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol;4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(propan-2-ylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol
CID 157858525
4-Chloro-5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-ethylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylpyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methylsulfonylpropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 159609430
2-[6-(6-amino-4-chloro-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;2-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(2-methylsulfonylpropan-2-yl)pyrimidin-4-yl]pyridin-2-amine;5-[6-(2-methoxypropan-2-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159812940
2-[6-[6-Amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]propan-2-ol;4-chloro-5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;5-[6-[difluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine;5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 159996428

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 160780842) is 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is NCC(c1ccc(C(F)(F)F)nc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCCCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCOCC1.NCC(c1ccc(C(F)(F)F)nc1)N1CCS(=O)(=O)CC1.NCC(c1cnc(C(F)(F)F)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is SAOALHDOCQZAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3O.C13H18F3N3.C12H15F5N4.C12H16F3N3O2S.C12H16F3N3O/c20-15-4-2-14(3-5-15)18(27)7-9-26(10-8-18)16(11-24)13-1-6-17(25-12-13)19(21,22)23;14-13(15,16)12-5-4-10(9-18-12)11(8-17)19-6-2-1-3-7-19;13-11(14)1-3-21(4-2-11)9(5-18)8-6-19-10(20-7-8)12(15,16)17;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-21(19,20)6-4-18;13-12(14,15)11-2-1-9(8-17-11)10(7-16)18-3-5-19-6-4-18/h1-6,12,16,27H,7-11,24H2;4-5,9,11H,1-3,6-8,17H2;6-7,9H,1-5,18H2;1-2,8,10H,3-7,16H2;1-2,8,10H,3-7,16H2.
What are the key properties of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 1582.03 g/mol, XLogP of 10.81, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(4-chlorophenyl)piperidin-4-ol;2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine;2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine;2-piperidin-1-yl-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 160780842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).