[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol

C50H54F2N6O7 — CID 159154644

IUPAC[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
SMILESCOc1cc(N)ncc1C1CCN(C(=O)c2ccc(O)cc2F)CC1.COc1cc(N)ncc1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2F)CC1.OCc1ccccc1
InChIInChI=1S/C25H26FN3O3.C18H20FN3O3.C7H8O/c1-31-23-14-24(27)28-15-21(23)18-9-11-29(12-10-18)25(30)20-8-7-19(13-22(20)26)32-16-17-5-3-2-4-6-17;1-25-16-9-17(20)21-10-14(16)11-4-6-22(7-5-11)18(24)13-3-2-12(23)8-15(13)19;8-6-7-4-2-1-3-5-7/h2-8,13-15,18H,9-12,16H2,1H3,(H2,27,28);2-3,8-11,23H,4-7H2,1H3,(H2,20,21);1-5,8H,6H2
InChIKeyKJSRXCNCJKIASG-UHFFFAOYSA-N
MW889.01 g/mol
LogP8.13
Rot. Bonds10

About [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol (PubChem CID 159154644) has the molecular formula C50H54F2N6O7 and a molecular weight of 889.01 g/mol. Its IUPAC name is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol.

Molecular Properties

Compound Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
PubChem CID159154644
Molecular FormulaC50H54F2N6O7
Molecular Weight889.01 g/mol
Exact Mass888.40
IUPAC Name[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
SMILESCOc1cc(N)ncc1C1CCN(C(=O)c2ccc(O)cc2F)CC1.COc1cc(N)ncc1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2F)CC1.OCc1ccccc1
InChIInChI=1S/C25H26FN3O3.C18H20FN3O3.C7H8O/c1-31-23-14-24(27)28-15-21(23)18-9-11-29(12-10-18)25(30)20-8-7-19(13-22(20)26)32-16-17-5-3-2-4-6-17;1-25-16-9-17(20)21-10-14(16)11-4-6-22(7-5-11)18(24)13-3-2-12(23)8-15(13)19;8-6-7-4-2-1-3-5-7/h2-8,13-15,18H,9-12,16H2,1H3,(H2,27,28);2-3,8-11,23H,4-7H2,1H3,(H2,20,21);1-5,8H,6H2
InChIKeyKJSRXCNCJKIASG-UHFFFAOYSA-N
XLogP8.13
TPSA186.59 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500889.01
LogP ≤ 58.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol with MolForge

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Launch Full Analysis

Related Compounds

[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[5-[(4-fluorophenyl)methoxy]-4-methoxy-2-pyridinyl]methanone
CID 138675009
[4-(cyclohexylmethoxy)-2-fluorophenyl]-[4-(4-methoxy-6-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 170265183
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-[4-methoxy-5-(1,3,3-trifluoro-2-methylpropoxy)-2-pyridinyl]methanone
CID 175421877
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(4-ethyl-5-hydroxy-2-pyridinyl)methanone;5-hydroxy-4-methoxypyridine-2-carboxylic acid;4-methoxy-5-piperidin-4-ylpyridin-2-amine;dihydrochloride
CID 159550160
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
4-[6-[(4-ethoxycarbonyl-3-fluorophenoxy)methyl]-3-pyridinyl]piperidine-1-carboxylic acid
CID 67083138
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol?
The IUPAC name of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol (CID 159154644) is [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol.
What is the SMILES notation for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol?
The canonical SMILES for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol is COc1cc(N)ncc1C1CCN(C(=O)c2ccc(O)cc2F)CC1.COc1cc(N)ncc1C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2F)CC1.OCc1ccccc1.
What is the InChIKey of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol?
The InChIKey is KJSRXCNCJKIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3.C18H20FN3O3.C7H8O/c1-31-23-14-24(27)28-15-21(23)18-9-11-29(12-10-18)25(30)20-8-7-19(13-22(20)26)32-16-17-5-3-2-4-6-17;1-25-16-9-17(20)21-10-14(16)11-4-6-22(7-5-11)18(24)13-3-2-12(23)8-15(13)19;8-6-7-4-2-1-3-5-7/h2-8,13-15,18H,9-12,16H2,1H3,(H2,27,28);2-3,8-11,23H,4-7H2,1H3,(H2,20,21);1-5,8H,6H2.
What are the key properties of [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol?
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol has a molecular weight of 889.01 g/mol, XLogP of 8.13, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol is sourced from PubChem (CID 159154644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).