1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline

C113H145Cl3N22O20S4 — CID 158015118

About 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline

1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline (PubChem CID 158015118) has the molecular formula C113H145Cl3N22O20S4 and a molecular weight of 2366.16 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline.

Molecular Properties

• Compound Name: 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline
• PubChem CID: 158015118
• Molecular Formula: C113H145Cl3N22O20S4
• Molecular Weight: 2366.16 g/mol
• Exact Mass: 2362.90
• IUPAC Name: 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline
• SMILES: C.C.CC(C)(C)OC(=O)n1ccc2c(Cl)nc(Cl)nc21.CC(C)S(=O)(=O)c1ccccc1N.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2c1ccn2C(=O)OC(C)(C)C.COc1cc(N2CCC(O)CC2)ccc1N.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccn(C(=O)OC(C)(C)C)c2n1
• InChI: InChI=1S/C32H40N6O6S.C27H32N6O4S.C20H23ClN4O4S.C12H18N2O2.C11H11Cl2N3O2.C9H13NO2S.2CH4/c1-20(2)45(41,42)27-10-8-7-9-25(27)33-28-23-15-18-38(31(40)44-32(3,4)5)29(23)36-30(35-28)34-24-12-11-21(19-26(24)43-6)37-16-13-22(39)14-17-37;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-12(2)30(27,28)15-9-7-6-8-14(15)22-16-13-10-11-25(17(13)24-18(21)23-16)19(26)29-20(3,4)5;1-16-12-8-9(2-3-11(12)13)14-6-4-10(15)5-7-14;1-11(2,3)18-10(17)16-5-4-6-7(12)14-9(13)15-8(6)16;1-7(2)13(11,12)9-6-4-3-5-8(9)10;;/h7-12,15,18-20,22,39H,13-14,16-17H2,1-6H3,(H2,33,34,35,36);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);6-12H,1-5H3,(H,22,23,24);2-3,8,10,15H,4-7,13H2,1H3;4-5H,1-3H3;3-7H,10H2,1-2H3;2*1H4
• InChIKey: FFJDCRGEFDKNNS-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 559.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.16
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline?

The IUPAC name of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline (CID 158015118) is 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline.

What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline?

The canonical SMILES for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline is C.C.CC(C)(C)OC(=O)n1ccc2c(Cl)nc(Cl)nc21.CC(C)S(=O)(=O)c1ccccc1N.CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2c1ccn2C(=O)OC(C)(C)C.COc1cc(N2CCC(O)CC2)ccc1N.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1.COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccn(C(=O)OC(C)(C)C)c2n1.

What is the InChIKey of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline?

The InChIKey is FFJDCRGEFDKNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O6S.C27H32N6O4S.C20H23ClN4O4S.C12H18N2O2.C11H11Cl2N3O2.C9H13NO2S.2CH4/c1-20(2)45(41,42)27-10-8-7-9-25(27)33-28-23-15-18-38(31(40)44-32(3,4)5)29(23)36-30(35-28)34-24-12-11-21(19-26(24)43-6)37-16-13-22(39)14-17-37;1-17(2)38(35,36)24-7-5-4-6-22(24)29-26-20-10-13-28-25(20)31-27(32-26)30-21-9-8-18(16-23(21)37-3)33-14-11-19(34)12-15-33;1-12(2)30(27,28)15-9-7-6-8-14(15)22-16-13-10-11-25(17(13)24-18(21)23-16)19(26)29-20(3,4)5;1-16-12-8-9(2-3-11(12)13)14-6-4-10(15)5-7-14;1-11(2,3)18-10(17)16-5-4-6-7(12)14-9(13)15-8(6)16;1-7(2)13(11,12)9-6-4-3-5-8(9)10;;/h7-12,15,18-20,22,39H,13-14,16-17H2,1-6H3,(H2,33,34,35,36);4-10,13,16-17,19,34H,11-12,14-15H2,1-3H3,(H3,28,29,30,31,32);6-12H,1-5H3,(H,22,23,24);2-3,8,10,15H,4-7,13H2,1H3;4-5H,1-3H3;3-7H,10H2,1-2H3;2*1H4.

What are the key properties of 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline?

1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline has a molecular weight of 2366.16 g/mol, XLogP of 22.73, 24 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-3-methoxyphenyl)piperidin-4-ol;tert-butyl 2-chloro-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2,4-dichloropyrrolo[2,3-d]pyrimidine-7-carboxylate;tert-butyl 2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-4-(2-propan-2-ylsulfonylanilino)pyrrolo[2,3-d]pyrimidine-7-carboxylate;methane;1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-ol;2-propan-2-ylsulfonylaniline is sourced from PubChem (CID 158015118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).