[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)

C89H93N9O15 — CID 167641017

About [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)

[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid) (PubChem CID 167641017) has the molecular formula C89H93N9O15 and a molecular weight of 1528.77 g/mol. Its IUPAC name is [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid).

Molecular Properties

• Compound Name: [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)
• PubChem CID: 167641017
• Molecular Formula: C89H93N9O15
• Molecular Weight: 1528.77 g/mol
• Exact Mass: 1527.68
• IUPAC Name: [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)
• SMILES: CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCNCC3)nc2)cc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O
• InChI: InChI=1S/C32H31N3O5.C25H27N3O3.C18H23N3O.2C7H6O3/c1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;1-27(2)20-10-7-18(8-11-20)19-9-12-24(26-17-19)31-21-13-15-28(16-14-21)25(30)22-5-3-4-6-23(22)29;1-21(2)16-6-3-14(4-7-16)15-5-8-18(20-13-15)22-17-9-11-19-12-10-17;2*8-6-4-2-1-3-5(6)7(9)10/h3-16,21,25,36H,17-20H2,1-2H3;3-12,17,21,29H,13-16H2,1-2H3;3-8,13,17,19H,9-12H2,1-2H3;2*1-4,8H,(H,9,10)
• InChIKey: PDUJPSBBJTULKK-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 310.55 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1528.77
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)?

The IUPAC name of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid) (CID 167641017) is [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid).

What is the SMILES notation for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)?

The canonical SMILES for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid) is CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(-c2ccc(OC3CCNCC3)nc2)cc1.O=C(O)c1ccccc1O.O=C(O)c1ccccc1O.

What is the InChIKey of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)?

The InChIKey is PDUJPSBBJTULKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O5.C25H27N3O3.C18H23N3O.2C7H6O3/c1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;1-27(2)20-10-7-18(8-11-20)19-9-12-24(26-17-19)31-21-13-15-28(16-14-21)25(30)22-5-3-4-6-23(22)29;1-21(2)16-6-3-14(4-7-16)15-5-8-18(20-13-15)22-17-9-11-19-12-10-17;2*8-6-4-2-1-3-5(6)7(9)10/h3-16,21,25,36H,17-20H2,1-2H3;3-12,17,21,29H,13-16H2,1-2H3;3-8,13,17,19H,9-12H2,1-2H3;2*1-4,8H,(H,9,10).

What are the key properties of [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid)?

[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid) has a molecular weight of 1528.77 g/mol, XLogP of 14.75, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-(2-hydroxyphenyl)methanone;N,N-dimethyl-4-(6-piperidin-4-yloxy-3-pyridinyl)aniline;bis(2-hydroxybenzoic acid) is sourced from PubChem (CID 167641017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).