(2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate

C120H128N8O26 — CID 159864507

About (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate

(2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate (PubChem CID 159864507) has the molecular formula C120H128N8O26 and a molecular weight of 2098.37 g/mol. Its IUPAC name is (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate.

Molecular Properties

• Compound Name: (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate
• PubChem CID: 159864507
• Molecular Formula: C120H128N8O26
• Molecular Weight: 2098.37 g/mol
• Exact Mass: 2096.89
• IUPAC Name: (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate
• SMILES: C=CCOC(=O)Nc1cc(OCc2ccccc2)c(C)cc1C(=O)N1CCCC[C@H]1CO.Cc1cc(C(=O)N2CCCC[C@H]2CO)c(N)cc1OCc1ccccc1.Cc1cc(C(=O)N2CCCC[C@H]2CO)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C=O)ccc1O.Cc1cc(C=O)ccc1OCc1ccccc1
• InChI: InChI=1S/C25H30N2O5.C21H24N2O5.C21H26N2O3.C15H13NO5.C15H13NO4.C15H14O2.C8H8O2/c1-3-13-31-25(30)26-22-15-23(32-17-19-9-5-4-6-10-19)18(2)14-21(22)24(29)27-12-8-7-11-20(27)16-28;1-15-11-18(21(25)22-10-6-5-9-17(22)13-24)19(23(26)27)12-20(15)28-14-16-7-3-2-4-8-16;1-15-11-18(21(25)23-10-6-5-9-17(23)13-24)19(22)12-20(15)26-14-16-7-3-2-4-8-16;1-10-7-12(15(17)18)13(16(19)20)8-14(10)21-9-11-5-3-2-4-6-11;1-11-7-13(9-17)14(16(18)19)8-15(11)20-10-12-5-3-2-4-6-12;1-12-9-14(10-16)7-8-15(12)17-11-13-5-3-2-4-6-13;1-6-4-7(5-9)2-3-8(6)10/h3-6,9-10,14-15,20,28H,1,7-8,11-13,16-17H2,2H3,(H,26,30);2-4,7-8,11-12,17,24H,5-6,9-10,13-14H2,1H3;2-4,7-8,11-12,17,24H,5-6,9-10,13-14,22H2,1H3;2-8H,9H2,1H3,(H,17,18);2-9H,10H2,1H3;2-10H,11H2,1H3;2-5,10H,1H3/t20-;2*17-;;;;/m000..../s1
• InChIKey: NROGQGBFZSMQAD-TVPVQXHGSA-N
• XLogP: 22.28
• TPSA: 479.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2098.37
LogP ≤ 5	22.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate?

The IUPAC name of (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate (CID 159864507) is (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate.

What is the SMILES notation for (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate?

The canonical SMILES for (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate is C=CCOC(=O)Nc1cc(OCc2ccccc2)c(C)cc1C(=O)N1CCCC[C@H]1CO.Cc1cc(C(=O)N2CCCC[C@H]2CO)c(N)cc1OCc1ccccc1.Cc1cc(C(=O)N2CCCC[C@H]2CO)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C(=O)O)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C=O)c([N+](=O)[O-])cc1OCc1ccccc1.Cc1cc(C=O)ccc1O.Cc1cc(C=O)ccc1OCc1ccccc1.

What is the InChIKey of (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate?

The InChIKey is NROGQGBFZSMQAD-TVPVQXHGSA-N. The full InChI is InChI=1S/C25H30N2O5.C21H24N2O5.C21H26N2O3.C15H13NO5.C15H13NO4.C15H14O2.C8H8O2/c1-3-13-31-25(30)26-22-15-23(32-17-19-9-5-4-6-10-19)18(2)14-21(22)24(29)27-12-8-7-11-20(27)16-28;1-15-11-18(21(25)22-10-6-5-9-17(22)13-24)19(23(26)27)12-20(15)28-14-16-7-3-2-4-8-16;1-15-11-18(21(25)23-10-6-5-9-17(23)13-24)19(22)12-20(15)26-14-16-7-3-2-4-8-16;1-10-7-12(15(17)18)13(16(19)20)8-14(10)21-9-11-5-3-2-4-6-11;1-11-7-13(9-17)14(16(18)19)8-15(11)20-10-12-5-3-2-4-6-12;1-12-9-14(10-16)7-8-15(12)17-11-13-5-3-2-4-6-13;1-6-4-7(5-9)2-3-8(6)10/h3-6,9-10,14-15,20,28H,1,7-8,11-13,16-17H2,2H3,(H,26,30);2-4,7-8,11-12,17,24H,5-6,9-10,13-14H2,1H3;2-4,7-8,11-12,17,24H,5-6,9-10,13-14,22H2,1H3;2-8H,9H2,1H3,(H,17,18);2-9H,10H2,1H3;2-10H,11H2,1H3;2-5,10H,1H3/t20-;2*17-;;;;/m000..../s1.

What are the key properties of (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate?

(2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate has a molecular weight of 2098.37 g/mol, XLogP of 22.28, 34 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5-methyl-4-phenylmethoxyphenyl)-[(2S)-2-(hydroxymethyl)piperidin-1-yl]methanone;4-hydroxy-3-methylbenzaldehyde;[(2S)-2-(hydroxymethyl)piperidin-1-yl]-(5-methyl-2-nitro-4-phenylmethoxyphenyl)methanone;5-methyl-2-nitro-4-phenylmethoxybenzaldehyde;5-methyl-2-nitro-4-phenylmethoxybenzoic acid;3-methyl-4-phenylmethoxybenzaldehyde;prop-2-enyl N-[2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-5-phenylmethoxyphenyl]carbamate is sourced from PubChem (CID 159864507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).