1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol

C62H95FN14O12 — CID 158829177

IUPAC1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol
SMILESCC(C)(C1CN(Cc2ccccc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc(N)nc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc([N+](=O)[O-])nc2)CCO1)N1CC(O)C1.CC(C)(C1CNCCO1)N1CC(O)C1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C17H26N2O2.C15H22N4O4.C15H24N4O2.C10H20N2O2.C5H3FN2O2/c1-17(2,19-11-15(20)12-19)16-13-18(8-9-21-16)10-14-6-4-3-5-7-14;1-15(2,18-8-12(20)9-18)13-10-17(5-6-23-13)11-3-4-14(16-7-11)19(21)22;1-15(2,19-8-12(20)9-19)13-10-18(5-6-21-13)11-3-4-14(16)17-7-11;1-10(2,12-6-8(13)7-12)9-5-11-3-4-14-9;6-4-1-2-5(7-3-4)8(9)10/h3-7,15-16,20H,8-13H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3,(H2,16,17);8-9,11,13H,3-7H2,1-2H3;1-3H
InChIKeyIWVFTIQSJNZDII-UHFFFAOYSA-N
MW1247.53 g/mol
LogP2.88
Rot. Bonds14

About 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol

1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol (PubChem CID 158829177) has the molecular formula C62H95FN14O12 and a molecular weight of 1247.53 g/mol. Its IUPAC name is 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol
PubChem CID158829177
Molecular FormulaC62H95FN14O12
Molecular Weight1247.53 g/mol
Exact Mass1246.72
IUPAC Name1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol
SMILESCC(C)(C1CN(Cc2ccccc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc(N)nc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc([N+](=O)[O-])nc2)CCO1)N1CC(O)C1.CC(C)(C1CNCCO1)N1CC(O)C1.O=[N+]([O-])c1ccc(F)cn1
InChIInChI=1S/C17H26N2O2.C15H22N4O4.C15H24N4O2.C10H20N2O2.C5H3FN2O2/c1-17(2,19-11-15(20)12-19)16-13-18(8-9-21-16)10-14-6-4-3-5-7-14;1-15(2,18-8-12(20)9-18)13-10-17(5-6-23-13)11-3-4-14(16-7-11)19(21)22;1-15(2,19-8-12(20)9-19)13-10-18(5-6-21-13)11-3-4-14(16)17-7-11;1-10(2,12-6-8(13)7-12)9-5-11-3-4-14-9;6-4-1-2-5(7-3-4)8(9)10/h3-7,15-16,20H,8-13H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3,(H2,16,17);8-9,11,13H,3-7H2,1-2H3;1-3H
InChIKeyIWVFTIQSJNZDII-UHFFFAOYSA-N
XLogP2.88
TPSA303.52 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001247.53
LogP ≤ 52.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol?
The IUPAC name of 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol (CID 158829177) is 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol is CC(C)(C1CN(Cc2ccccc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc(N)nc2)CCO1)N1CC(O)C1.CC(C)(C1CN(c2ccc([N+](=O)[O-])nc2)CCO1)N1CC(O)C1.CC(C)(C1CNCCO1)N1CC(O)C1.O=[N+]([O-])c1ccc(F)cn1.
What is the InChIKey of 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol?
The InChIKey is IWVFTIQSJNZDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.C15H22N4O4.C15H24N4O2.C10H20N2O2.C5H3FN2O2/c1-17(2,19-11-15(20)12-19)16-13-18(8-9-21-16)10-14-6-4-3-5-7-14;1-15(2,18-8-12(20)9-18)13-10-17(5-6-23-13)11-3-4-14(16-7-11)19(21)22;1-15(2,19-8-12(20)9-19)13-10-18(5-6-21-13)11-3-4-14(16)17-7-11;1-10(2,12-6-8(13)7-12)9-5-11-3-4-14-9;6-4-1-2-5(7-3-4)8(9)10/h3-7,15-16,20H,8-13H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3;3-4,7,12-13,20H,5-6,8-10H2,1-2H3,(H2,16,17);8-9,11,13H,3-7H2,1-2H3;1-3H.
What are the key properties of 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol?
1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol has a molecular weight of 1247.53 g/mol, XLogP of 2.88, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-amino-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol;1-[2-(4-benzylmorpholin-2-yl)propan-2-yl]azetidin-3-ol;5-fluoro-2-nitropyridine;1-(2-morpholin-2-ylpropan-2-yl)azetidin-3-ol;1-[2-[4-(6-nitro-3-pyridinyl)morpholin-2-yl]propan-2-yl]azetidin-3-ol is sourced from PubChem (CID 158829177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).