1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol

C42H63FN12O10 — CID 158690700

IUPAC1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol
SMILESNc1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.OC1(N2CCOCC2)CCNCC1
InChIInChI=1S/C14H20N4O4.C14H22N4O2.C9H18N2O2.C5H3FN2O2/c19-14(17-7-9-22-10-8-17)3-5-16(6-4-14)12-1-2-13(15-11-12)18(20)21;15-13-2-1-12(11-16-13)17-5-3-14(19,4-6-17)18-7-9-20-10-8-18;12-9(1-3-10-4-2-9)11-5-7-13-8-6-11;6-4-1-2-5(7-3-4)8(9)10/h1-2,11,19H,3-10H2;1-2,11,19H,3-10H2,(H2,15,16);10,12H,1-8H2;1-3H
InChIKeyIGHUJXSCIQLBHJ-UHFFFAOYSA-N
MW915.04 g/mol
LogP1.42
Rot. Bonds7

About 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol

1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol (PubChem CID 158690700) has the molecular formula C42H63FN12O10 and a molecular weight of 915.04 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol
PubChem CID158690700
Molecular FormulaC42H63FN12O10
Molecular Weight915.04 g/mol
Exact Mass914.48
IUPAC Name1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol
SMILESNc1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.OC1(N2CCOCC2)CCNCC1
InChIInChI=1S/C14H20N4O4.C14H22N4O2.C9H18N2O2.C5H3FN2O2/c19-14(17-7-9-22-10-8-17)3-5-16(6-4-14)12-1-2-13(15-11-12)18(20)21;15-13-2-1-12(11-16-13)17-5-3-14(19,4-6-17)18-7-9-20-10-8-18;12-9(1-3-10-4-2-9)11-5-7-13-8-6-11;6-4-1-2-5(7-3-4)8(9)10/h1-2,11,19H,3-10H2;1-2,11,19H,3-10H2,(H2,15,16);10,12H,1-8H2;1-3H
InChIKeyIGHUJXSCIQLBHJ-UHFFFAOYSA-N
XLogP1.42
TPSA267.58 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.04
LogP ≤ 51.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol?
The IUPAC name of 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol (CID 158690700) is 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol is Nc1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.O=[N+]([O-])c1ccc(F)cn1.O=[N+]([O-])c1ccc(N2CCC(O)(N3CCOCC3)CC2)cn1.OC1(N2CCOCC2)CCNCC1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol?
The InChIKey is IGHUJXSCIQLBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4.C14H22N4O2.C9H18N2O2.C5H3FN2O2/c19-14(17-7-9-22-10-8-17)3-5-16(6-4-14)12-1-2-13(15-11-12)18(20)21;15-13-2-1-12(11-16-13)17-5-3-14(19,4-6-17)18-7-9-20-10-8-18;12-9(1-3-10-4-2-9)11-5-7-13-8-6-11;6-4-1-2-5(7-3-4)8(9)10/h1-2,11,19H,3-10H2;1-2,11,19H,3-10H2,(H2,15,16);10,12H,1-8H2;1-3H.
What are the key properties of 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol?
1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol has a molecular weight of 915.04 g/mol, XLogP of 1.42, 7 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-4-morpholin-4-ylpiperidin-4-ol;5-fluoro-2-nitropyridine;4-morpholin-4-yl-1-(6-nitro-3-pyridinyl)piperidin-4-ol;4-morpholin-4-ylpiperidin-4-ol is sourced from PubChem (CID 158690700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).