1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol

C76H126FN15O18 — CID 158569505

IUPAC1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCCC(O)(CN2CCOCC2)C1.CC(C)(C)OC(=O)N1CCCC2(CO2)C1.Nc1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.OC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C15H22N4O4.C15H24N4O2.C15H28N2O4.C11H19NO3.C11H21NO2.C5H3FN2O2.C4H9NO/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;16-14-3-2-13(10-17-14)19-5-1-4-15(20,12-19)11-18-6-8-21-9-7-18;1-14(2,3)21-13(18)17-6-4-5-15(19,12-17)11-16-7-9-20-10-8-16;1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11;13-11(4-2-1-3-5-11)10-12-6-8-14-9-7-12;6-4-1-2-5(7-3-4)8(9)10;1-3-6-4-2-5-1/h2-3,10,20H,1,4-9,11-12H2;2-3,10,20H,1,4-9,11-12H2,(H2,16,17);19H,4-12H2,1-3H3;4-8H2,1-3H3;13H,1-10H2;1-3H;5H,1-4H2
InChIKeyHRXDZTFAEMFYMA-UHFFFAOYSA-N
MW1556.93 g/mol
LogP5.60
Rot. Bonds12

About 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol

1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol (PubChem CID 158569505) has the molecular formula C76H126FN15O18 and a molecular weight of 1556.93 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
PubChem CID158569505
Molecular FormulaC76H126FN15O18
Molecular Weight1556.93 g/mol
Exact Mass1555.94
IUPAC Name1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCCC(O)(CN2CCOCC2)C1.CC(C)(C)OC(=O)N1CCCC2(CO2)C1.Nc1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.OC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C15H22N4O4.C15H24N4O2.C15H28N2O4.C11H19NO3.C11H21NO2.C5H3FN2O2.C4H9NO/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;16-14-3-2-13(10-17-14)19-5-1-4-15(20,12-19)11-18-6-8-21-9-7-18;1-14(2,3)21-13(18)17-6-4-5-15(19,12-17)11-16-7-9-20-10-8-16;1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11;13-11(4-2-1-3-5-11)10-12-6-8-14-9-7-12;6-4-1-2-5(7-3-4)8(9)10;1-3-6-4-2-5-1/h2-3,10,20H,1,4-9,11-12H2;2-3,10,20H,1,4-9,11-12H2,(H2,16,17);19H,4-12H2,1-3H3;4-8H2,1-3H3;13H,1-10H2;1-3H;5H,1-4H2
InChIKeyHRXDZTFAEMFYMA-UHFFFAOYSA-N
XLogP5.60
TPSA381.12 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001556.93
LogP ≤ 55.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The IUPAC name of 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol (CID 158569505) is 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol is C1COCCN1.CC(C)(C)OC(=O)N1CCCC(O)(CN2CCOCC2)C1.CC(C)(C)OC(=O)N1CCCC2(CO2)C1.Nc1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.OC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The InChIKey is HRXDZTFAEMFYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4.C15H24N4O2.C15H28N2O4.C11H19NO3.C11H21NO2.C5H3FN2O2.C4H9NO/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;16-14-3-2-13(10-17-14)19-5-1-4-15(20,12-19)11-18-6-8-21-9-7-18;1-14(2,3)21-13(18)17-6-4-5-15(19,12-17)11-16-7-9-20-10-8-16;1-10(2,3)15-9(13)12-6-4-5-11(7-12)8-14-11;13-11(4-2-1-3-5-11)10-12-6-8-14-9-7-12;6-4-1-2-5(7-3-4)8(9)10;1-3-6-4-2-5-1/h2-3,10,20H,1,4-9,11-12H2;2-3,10,20H,1,4-9,11-12H2,(H2,16,17);19H,4-12H2,1-3H3;4-8H2,1-3H3;13H,1-10H2;1-3H;5H,1-4H2.
What are the key properties of 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol has a molecular weight of 1556.93 g/mol, XLogP of 5.60, 12 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-3-(morpholin-4-ylmethyl)piperidin-3-ol;tert-butyl 3-hydroxy-3-(morpholin-4-ylmethyl)piperidine-1-carboxylate;tert-butyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate;5-fluoro-2-nitropyridine;morpholine;1-(morpholin-4-ylmethyl)cyclohexan-1-ol;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 158569505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).