4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol

C32H49FI2N6O4 — CID 159954649

IUPAC4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(N)CC1.CC1(O)CCC(Nc2cc(I)cc(N3CCOCC3)n2)CC1.Fc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C16H24IN3O2.C9H10FIN2O.C7H15NO/c1-16(21)4-2-13(3-5-16)18-14-10-12(17)11-15(19-14)20-6-8-22-9-7-20;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-7(9)4-2-6(8)3-5-7/h10-11,13,21H,2-9H2,1H3,(H,18,19);5-6H,1-4H2;6,9H,2-5,8H2,1H3
InChIKeyOCOCVBYKPFBWND-UHFFFAOYSA-N
MW854.59 g/mol
LogP4.93
Rot. Bonds4

About 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol

4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol (PubChem CID 159954649) has the molecular formula C32H49FI2N6O4 and a molecular weight of 854.59 g/mol. Its IUPAC name is 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
PubChem CID159954649
Molecular FormulaC32H49FI2N6O4
Molecular Weight854.59 g/mol
Exact Mass854.19
IUPAC Name4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol
SMILESCC1(O)CCC(N)CC1.CC1(O)CCC(Nc2cc(I)cc(N3CCOCC3)n2)CC1.Fc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C16H24IN3O2.C9H10FIN2O.C7H15NO/c1-16(21)4-2-13(3-5-16)18-14-10-12(17)11-15(19-14)20-6-8-22-9-7-20;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-7(9)4-2-6(8)3-5-7/h10-11,13,21H,2-9H2,1H3,(H,18,19);5-6H,1-4H2;6,9H,2-5,8H2,1H3
InChIKeyOCOCVBYKPFBWND-UHFFFAOYSA-N
XLogP4.93
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500854.59
LogP ≤ 54.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-4-iodo-6-morpholin-4-ylpyridin-2-amine;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;2-methylpropan-2-amine
CID 158649137
4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-N-[(2S)-2-methoxypropyl]-6-morpholin-4-ylpyridin-2-amine;(2S)-2-methoxypropan-1-amine;sulfane
CID 157234853
N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-morpholin-4-ylpyrimidin-4-amine
CID 139300257
[2-(cyclobutylamino)-6-morpholin-4-yl-4-pyridinyl]-trimethylazanium
CID 123635147
N-(4-iodo-6-morpholin-4-yl-2-pyridinyl)-2,2-dimethylpropanamide
CID 91465686
2,6-difluoro-4-iodopyridine;6-fluoro-4-iodo-N-(oxetan-3-yl)pyridin-2-amine;methane;oxetan-3-amine;hydrochloride
CID 158011837
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
(3R)-3-ethyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(3R)-oxan-3-yl]amino]-4-pyridinyl]phenyl]pyrrolidine-1-carboxamide;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-iodo-6-morpholin-4-yl-N-[(3R)-oxan-3-yl]pyridin-2-amine;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3R)-oxan-3-amine;sulfane;hydrochloride
CID 162194532
ethane;4-(6-fluoro-4-methyl-2-pyridinyl)morpholine
CID 155700248
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
2-fluoro-4-iodo-6-methylpyridine;4-(4-iodo-6-methyl-2-pyridinyl)morpholine;piperidine
CID 164996210

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol?
The IUPAC name of 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol (CID 159954649) is 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol is CC1(O)CCC(N)CC1.CC1(O)CCC(Nc2cc(I)cc(N3CCOCC3)n2)CC1.Fc1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol?
The InChIKey is OCOCVBYKPFBWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O2.C9H10FIN2O.C7H15NO/c1-16(21)4-2-13(3-5-16)18-14-10-12(17)11-15(19-14)20-6-8-22-9-7-20;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;1-7(9)4-2-6(8)3-5-7/h10-11,13,21H,2-9H2,1H3,(H,18,19);5-6H,1-4H2;6,9H,2-5,8H2,1H3.
What are the key properties of 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol?
4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol has a molecular weight of 854.59 g/mol, XLogP of 4.93, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylcyclohexan-1-ol;4-(6-fluoro-4-iodo-2-pyridinyl)morpholine;4-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 159954649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).