5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine

C45H69FN12O7 — CID 158745926

IUPAC5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine
SMILESCC1(N2CCOCC2)CCN(c2ccc(N)nc2)CC1.CC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1.CC1(N2CCOCC2)CCNCC1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C15H22N4O3.C15H24N4O.C10H20N2O.C5H3FN2O2/c1-15(18-8-10-22-11-9-18)4-6-17(7-5-15)13-2-3-14(16-12-13)19(20)21;1-15(19-8-10-20-11-9-19)4-6-18(7-5-15)13-2-3-14(16)17-12-13;1-10(2-4-11-5-3-10)12-6-8-13-9-7-12;6-4-1-2-5(7-3-4)8(9)10/h2-3,12H,4-11H2,1H3;2-3,12H,4-11H2,1H3,(H2,16,17);11H,2-9H2,1H3;1-3H
InChIKeyIMWQBXSSKGTLNE-UHFFFAOYSA-N
MW909.12 g/mol
LogP4.63
Rot. Bonds7

About 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine

5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine (PubChem CID 158745926) has the molecular formula C45H69FN12O7 and a molecular weight of 909.12 g/mol. Its IUPAC name is 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine
PubChem CID158745926
Molecular FormulaC45H69FN12O7
Molecular Weight909.12 g/mol
Exact Mass908.54
IUPAC Name5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine
SMILESCC1(N2CCOCC2)CCN(c2ccc(N)nc2)CC1.CC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1.CC1(N2CCOCC2)CCNCC1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C15H22N4O3.C15H24N4O.C10H20N2O.C5H3FN2O2/c1-15(18-8-10-22-11-9-18)4-6-17(7-5-15)13-2-3-14(16-12-13)19(20)21;1-15(19-8-10-20-11-9-19)4-6-18(7-5-15)13-2-3-14(16)17-12-13;1-10(2-4-11-5-3-10)12-6-8-13-9-7-12;6-4-1-2-5(7-3-4)8(9)10/h2-3,12H,4-11H2,1H3;2-3,12H,4-11H2,1H3,(H2,16,17);11H,2-9H2,1H3;1-3H
InChIKeyIMWQBXSSKGTLNE-UHFFFAOYSA-N
XLogP4.63
TPSA206.89 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.12
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine?
The IUPAC name of 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine (CID 158745926) is 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine.
What is the SMILES notation for 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine?
The canonical SMILES for 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine is CC1(N2CCOCC2)CCN(c2ccc(N)nc2)CC1.CC1(N2CCOCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1.CC1(N2CCOCC2)CCNCC1.O=[N+]([O-])c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine?
The InChIKey is IMWQBXSSKGTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.C15H24N4O.C10H20N2O.C5H3FN2O2/c1-15(18-8-10-22-11-9-18)4-6-17(7-5-15)13-2-3-14(16-12-13)19(20)21;1-15(19-8-10-20-11-9-19)4-6-18(7-5-15)13-2-3-14(16)17-12-13;1-10(2-4-11-5-3-10)12-6-8-13-9-7-12;6-4-1-2-5(7-3-4)8(9)10/h2-3,12H,4-11H2,1H3;2-3,12H,4-11H2,1H3,(H2,16,17);11H,2-9H2,1H3;1-3H.
What are the key properties of 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine?
5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine has a molecular weight of 909.12 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-nitropyridine;5-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine;4-[4-methyl-1-(6-nitro-3-pyridinyl)piperidin-4-yl]morpholine;4-(4-methylpiperidin-4-yl)morpholine is sourced from PubChem (CID 158745926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).