2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol

C90H144F2N14O9 — CID 157380967

IUPAC2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
SMILESCC(C)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cn1.CC(C)c1ccc(CN2CCN(C[C@H](C)O)CC2)cn1.CC(C)c1ccc(OC2CCN(CCO)CC2)cn1.CC(C)c1ccc(OC2CCNCC2)cn1.CC(C)c1ccc(O[C@@H]2CCN(CCO)C[C@@H]2F)cn1.CC(C)c1ccc(O[C@H]2CCN(CCO)C[C@@H]2F)cn1
InChIInChI=1S/2C16H27N3O.2C15H23FN2O2.C15H24N2O2.C13H20N2O/c2*1-13(2)16-5-4-15(10-17-16)12-19-8-6-18(7-9-19)11-14(3)20;2*1-11(2)14-4-3-12(9-17-14)20-15-5-6-18(7-8-19)10-13(15)16;1-12(2)15-4-3-14(11-16-15)19-13-5-7-17(8-6-13)9-10-18;1-10(2)13-4-3-12(9-15-13)16-11-5-7-14-8-6-11/h2*4-5,10,13-14,20H,6-9,11-12H2,1-3H3;2*3-4,9,11,13,15,19H,5-8,10H2,1-2H3;3-4,11-13,18H,5-10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3/t2*14-;13-,15+;13-,15-;;/m1000../s1
InChIKeyBKWKJSHNOLWPNZ-NPRNWBHKSA-N
MW1604.23 g/mol
LogP11.76
Rot. Bonds28

About 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol

2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol (PubChem CID 157380967) has the molecular formula C90H144F2N14O9 and a molecular weight of 1604.23 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
PubChem CID157380967
Molecular FormulaC90H144F2N14O9
Molecular Weight1604.23 g/mol
Exact Mass1603.12
IUPAC Name2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
SMILESCC(C)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cn1.CC(C)c1ccc(CN2CCN(C[C@H](C)O)CC2)cn1.CC(C)c1ccc(OC2CCN(CCO)CC2)cn1.CC(C)c1ccc(OC2CCNCC2)cn1.CC(C)c1ccc(O[C@@H]2CCN(CCO)C[C@@H]2F)cn1.CC(C)c1ccc(O[C@H]2CCN(CCO)C[C@@H]2F)cn1
InChIInChI=1S/2C16H27N3O.2C15H23FN2O2.C15H24N2O2.C13H20N2O/c2*1-13(2)16-5-4-15(10-17-16)12-19-8-6-18(7-9-19)11-14(3)20;2*1-11(2)14-4-3-12(9-17-14)20-15-5-6-18(7-8-19)10-13(15)16;1-12(2)15-4-3-14(11-16-15)19-13-5-7-17(8-6-13)9-10-18;1-10(2)13-4-3-12(9-15-13)16-11-5-7-14-8-6-11/h2*4-5,10,13-14,20H,6-9,11-12H2,1-3H3;2*3-4,9,11,13,15,19H,5-8,10H2,1-2H3;3-4,11-13,18H,5-10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3/t2*14-;13-,15+;13-,15-;;/m1000../s1
InChIKeyBKWKJSHNOLWPNZ-NPRNWBHKSA-N
XLogP11.76
TPSA250.12 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001604.23
LogP ≤ 511.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10297708
(3R,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57395838
(3S,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57402817
(1R)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 56643450
(3S,4S)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57392317
(3R,4R)-4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 57401058
(1S)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]-1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 57402816
8-Piperidin-4-yloxy-2-[6-(trifluoromethyl)-3-pyridinyl]-1,5-naphthyridine
CID 177649581
(2R)-2-[[3-methoxy-6-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312505
Bis[3,5-difluoro-2-(5-methoxy-2-pyridyl)phenyl]iridium(1+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridyl]pyridine;hexafluorophosphate
CID 166446739
1,1'-(5-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}-1,3-phenylene)bis[N,N-bis(pyridin-2-ylmethyl)methanamine]
CID 25126081
4-(2,3-Dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-3-ol
CID 10030238

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol (CID 157380967) is 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol is CC(C)c1ccc(CN2CCN(C[C@@H](C)O)CC2)cn1.CC(C)c1ccc(CN2CCN(C[C@H](C)O)CC2)cn1.CC(C)c1ccc(OC2CCN(CCO)CC2)cn1.CC(C)c1ccc(OC2CCNCC2)cn1.CC(C)c1ccc(O[C@@H]2CCN(CCO)C[C@@H]2F)cn1.CC(C)c1ccc(O[C@H]2CCN(CCO)C[C@@H]2F)cn1.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The InChIKey is BKWKJSHNOLWPNZ-NPRNWBHKSA-N. The full InChI is InChI=1S/2C16H27N3O.2C15H23FN2O2.C15H24N2O2.C13H20N2O/c2*1-13(2)16-5-4-15(10-17-16)12-19-8-6-18(7-9-19)11-14(3)20;2*1-11(2)14-4-3-12(9-17-14)20-15-5-6-18(7-8-19)10-13(15)16;1-12(2)15-4-3-14(11-16-15)19-13-5-7-17(8-6-13)9-10-18;1-10(2)13-4-3-12(9-15-13)16-11-5-7-14-8-6-11/h2*4-5,10,13-14,20H,6-9,11-12H2,1-3H3;2*3-4,9,11,13,15,19H,5-8,10H2,1-2H3;3-4,11-13,18H,5-10H2,1-2H3;3-4,9-11,14H,5-8H2,1-2H3/t2*14-;13-,15+;13-,15-;;/m1000../s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol has a molecular weight of 1604.23 g/mol, XLogP of 11.76, 28 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;2-[(3S,4S)-3-fluoro-4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol;5-piperidin-4-yloxy-2-propan-2-ylpyridine;(2R)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;(2S)-1-[4-[(6-propan-2-yl-3-pyridinyl)methyl]piperazin-1-yl]propan-2-ol;2-[4-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol is sourced from PubChem (CID 157380967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).