(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone

C130H165F5N18O14 — CID 159267860

IUPAC(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone
SMILESCC(C(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1)c1ccccc1F.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc3ccccc23)CC1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@H](COc2ccccc2F)C1.COc1ncc(C)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H31N3O2.C23H30FN3O2.2C21H28FN3O3.C20H24FN3O2.C19H24FN3O2/c1-26(2,3)31-25-23(27-13-14-28-25)18-29-15-11-20(12-16-29)24(30)17-21-9-6-8-19-7-4-5-10-22(19)21;1-16(18-7-5-6-8-19(18)24)21(28)17-9-13-27(14-10-17)15-20-22(26-12-11-25-20)29-23(2,3)4;2*1-21(2,3)28-20-17(23-9-10-24-20)13-25-11-8-18(26)15(12-25)14-27-19-7-5-4-6-16(19)22;1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21;1-14-11-21-19(24-2)17(22-14)12-23-9-7-15(8-10-23)13-25-18-6-4-3-5-16(18)20/h4-10,13-14,20H,11-12,15-18H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;2*4-7,9-10,15,18,26H,8,11-14H2,1-3H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3;3-6,11,15H,7-10,12-13H2,1-2H3/t;;15-,18+;15-,18-;;/m..01../s1
InChIKeyKXIGCBXKBAALBP-CVXYBHMFSA-N
MW2298.85 g/mol
LogP21.75
Rot. Bonds36

About (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone

(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone (PubChem CID 159267860) has the molecular formula C130H165F5N18O14 and a molecular weight of 2298.85 g/mol. Its IUPAC name is (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone
PubChem CID159267860
Molecular FormulaC130H165F5N18O14
Molecular Weight2298.85 g/mol
Exact Mass2297.27
IUPAC Name(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone
SMILESCC(C(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1)c1ccccc1F.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc3ccccc23)CC1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@H](COc2ccccc2F)C1.COc1ncc(C)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H31N3O2.C23H30FN3O2.2C21H28FN3O3.C20H24FN3O2.C19H24FN3O2/c1-26(2,3)31-25-23(27-13-14-28-25)18-29-15-11-20(12-16-29)24(30)17-21-9-6-8-19-7-4-5-10-22(19)21;1-16(18-7-5-6-8-19(18)24)21(28)17-9-13-27(14-10-17)15-20-22(26-12-11-25-20)29-23(2,3)4;2*1-21(2,3)28-20-17(23-9-10-24-20)13-25-11-8-18(26)15(12-25)14-27-19-7-5-4-6-16(19)22;1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21;1-14-11-21-19(24-2)17(22-14)12-23-9-7-15(8-10-23)13-25-18-6-4-3-5-16(18)20/h4-10,13-14,20H,11-12,15-18H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;2*4-7,9-10,15,18,26H,8,11-14H2,1-3H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3;3-6,11,15H,7-10,12-13H2,1-2H3/t;;15-,18+;15-,18-;;/m..01../s1
InChIKeyKXIGCBXKBAALBP-CVXYBHMFSA-N
XLogP21.75
TPSA348.86 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002298.85
LogP ≤ 521.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone (CID 159267860) is (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone is CC(C(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1)c1ccccc1F.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc3ccccc23)CC1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@@H](COc2ccccc2F)C1.CC(C)(C)Oc1nccnc1CN1CC[C@@H](O)[C@H](COc2ccccc2F)C1.COc1ncc(C)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone?
The InChIKey is KXIGCBXKBAALBP-CVXYBHMFSA-N. The full InChI is InChI=1S/C26H31N3O2.C23H30FN3O2.2C21H28FN3O3.C20H24FN3O2.C19H24FN3O2/c1-26(2,3)31-25-23(27-13-14-28-25)18-29-15-11-20(12-16-29)24(30)17-21-9-6-8-19-7-4-5-10-22(19)21;1-16(18-7-5-6-8-19(18)24)21(28)17-9-13-27(14-10-17)15-20-22(26-12-11-25-20)29-23(2,3)4;2*1-21(2,3)28-20-17(23-9-10-24-20)13-25-11-8-18(26)15(12-25)14-27-19-7-5-4-6-16(19)22;1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21;1-14-11-21-19(24-2)17(22-14)12-23-9-7-15(8-10-23)13-25-18-6-4-3-5-16(18)20/h4-10,13-14,20H,11-12,15-18H2,1-3H3;5-8,11-12,16-17H,9-10,13-15H2,1-4H3;2*4-7,9-10,15,18,26H,8,11-14H2,1-3H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3;3-6,11,15H,7-10,12-13H2,1-2H3/t;;15-,18+;15-,18-;;/m..01../s1.
What are the key properties of (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone?
(3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone has a molecular weight of 2298.85 g/mol, XLogP of 21.75, 36 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;(3R,4R)-3-[(2-fluorophenoxy)methyl]-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-ol;3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxy-5-methylpyrazine;2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propan-1-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 159267860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).