1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride

C79H120B2Cl2N14O14 — CID 157085157

IUPAC1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride
SMILESC.C.C.C.C.CB(O)N1CCC(=O)CC1.CB(O)N1CCC(C)(O)CC1.CC1(O)CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CC1(O)CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.CC1(O)CCNCC1.Cl.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N4O2.C14H12O2.C11H16N4O3.C7H16BNO2.C6H12BNO2.C6H13NO.C5H4ClN3O2.5CH4.ClH/c1-25(30)13-15-29(16-14-25)22-12-11-21-24(27-22)28-23(26-21)19-7-9-20(10-8-19)31-17-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-11(16)4-6-14(7-5-11)9-3-2-8(15(17)18)10(12)13-9;1-7(10)3-5-9(6-4-7)8(2)11;1-7(10)8-4-2-6(9)3-5-8;1-6(8)2-4-7-5-3-6;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h2-12,30H,13-17H2,1H3,(H,26,27,28);1-10H,11H2;2-3,16H,4-7H2,1H3,(H2,12,13);10-11H,3-6H2,1-2H3;10H,2-5H2,1H3;7-8H,2-5H2,1H3;1-2H,(H2,7,8);5*1H4;1H
InChIKeyRNIJMFSEVNNUOG-UHFFFAOYSA-N
MW1582.44 g/mol
LogP13.21
Rot. Bonds14

About 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride

1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride (PubChem CID 157085157) has the molecular formula C79H120B2Cl2N14O14 and a molecular weight of 1582.44 g/mol. Its IUPAC name is 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride.

Molecular Properties

Compound Name1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride
PubChem CID157085157
Molecular FormulaC79H120B2Cl2N14O14
Molecular Weight1582.44 g/mol
Exact Mass1580.87
IUPAC Name1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride
SMILESC.C.C.C.C.CB(O)N1CCC(=O)CC1.CB(O)N1CCC(C)(O)CC1.CC1(O)CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CC1(O)CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.CC1(O)CCNCC1.Cl.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H26N4O2.C14H12O2.C11H16N4O3.C7H16BNO2.C6H12BNO2.C6H13NO.C5H4ClN3O2.5CH4.ClH/c1-25(30)13-15-29(16-14-25)22-12-11-21-24(27-22)28-23(26-21)19-7-9-20(10-8-19)31-17-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-11(16)4-6-14(7-5-11)9-3-2-8(15(17)18)10(12)13-9;1-7(10)3-5-9(6-4-7)8(2)11;1-7(10)8-4-2-6(9)3-5-8;1-6(8)2-4-7-5-3-6;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h2-12,30H,13-17H2,1H3,(H,26,27,28);1-10H,11H2;2-3,16H,4-7H2,1H3,(H2,12,13);10-11H,3-6H2,1-2H3;10H,2-5H2,1H3;7-8H,2-5H2,1H3;1-2H,(H2,7,8);5*1H4;1H
InChIKeyRNIJMFSEVNNUOG-UHFFFAOYSA-N
XLogP13.21
TPSA404.64 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.44
LogP ≤ 513.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride?
The IUPAC name of 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride (CID 157085157) is 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride.
What is the SMILES notation for 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride?
The canonical SMILES for 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride is C.C.C.C.C.CB(O)N1CCC(=O)CC1.CB(O)N1CCC(C)(O)CC1.CC1(O)CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1.CC1(O)CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.CC1(O)CCNCC1.Cl.Nc1nc(Cl)ccc1[N+](=O)[O-].O=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride?
The InChIKey is RNIJMFSEVNNUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.C14H12O2.C11H16N4O3.C7H16BNO2.C6H12BNO2.C6H13NO.C5H4ClN3O2.5CH4.ClH/c1-25(30)13-15-29(16-14-25)22-12-11-21-24(27-22)28-23(26-21)19-7-9-20(10-8-19)31-17-18-5-3-2-4-6-18;15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13;1-11(16)4-6-14(7-5-11)9-3-2-8(15(17)18)10(12)13-9;1-7(10)3-5-9(6-4-7)8(2)11;1-7(10)8-4-2-6(9)3-5-8;1-6(8)2-4-7-5-3-6;6-4-2-1-3(9(10)11)5(7)8-4;;;;;;/h2-12,30H,13-17H2,1H3,(H,26,27,28);1-10H,11H2;2-3,16H,4-7H2,1H3,(H2,12,13);10-11H,3-6H2,1-2H3;10H,2-5H2,1H3;7-8H,2-5H2,1H3;1-2H,(H2,7,8);5*1H4;1H.
What are the key properties of 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride?
1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride has a molecular weight of 1582.44 g/mol, XLogP of 13.21, 14 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-nitro-2-pyridinyl)-4-methylpiperidin-4-ol;6-chloro-3-nitropyridin-2-amine;(4-hydroxy-4-methylpiperidin-1-yl)-methylborinic acid;methane;methyl-(4-oxopiperidin-1-yl)borinic acid;4-methyl-1-[2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-4-ol;4-methylpiperidin-4-ol;4-phenylmethoxybenzaldehyde;hydrochloride is sourced from PubChem (CID 157085157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).