4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C72H96ClN15O4 — CID 159852844

About 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 159852844) has the molecular formula C72H96ClN15O4 and a molecular weight of 1271.11 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
• PubChem CID: 159852844
• Molecular Formula: C72H96ClN15O4
• Molecular Weight: 1271.11 g/mol
• Exact Mass: 1269.75
• IUPAC Name: 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
• SMILES: CC(C)(C)c1ccc(CC2(N)CCN(c3ccnc4[nH]ncc34)CC2)cc1.CC(C)(C)c1ccc(CC2(N)CCNCC2)cc1.CCOC(=O)c1cnc2[nH]ncc2c1Cl.CCOC(=O)c1cnc2[nH]ncc2c1N1CCC(N)(Cc2ccc(C(C)(C)C)cc2)CC1
• InChI: InChI=1S/C25H33N5O2.C22H29N5.C16H26N2.C9H8ClN3O2/c1-5-32-23(31)20-15-27-22-19(16-28-29-22)21(20)30-12-10-25(26,11-13-30)14-17-6-8-18(9-7-17)24(2,3)4;1-21(2,3)17-6-4-16(5-7-17)14-22(23)9-12-27(13-10-22)19-8-11-24-20-18(19)15-25-26-20;1-15(2,3)14-6-4-13(5-7-14)12-16(17)8-10-18-11-9-16;1-2-15-9(14)6-3-11-8-5(7(6)10)4-12-13-8/h6-9,15-16H,5,10-14,26H2,1-4H3,(H,27,28,29);4-8,11,15H,9-10,12-14,23H2,1-3H3,(H,24,25,26);4-7,18H,8-12,17H2,1-3H3;3-4H,2H2,1H3,(H,11,12,13)
• InChIKey: NQDSVBVBJCXJKM-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 273.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1271.11
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?

The IUPAC name of 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 159852844) is 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?

The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is CC(C)(C)c1ccc(CC2(N)CCN(c3ccnc4[nH]ncc34)CC2)cc1.CC(C)(C)c1ccc(CC2(N)CCNCC2)cc1.CCOC(=O)c1cnc2[nH]ncc2c1Cl.CCOC(=O)c1cnc2[nH]ncc2c1N1CCC(N)(Cc2ccc(C(C)(C)C)cc2)CC1.

What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?

The InChIKey is NQDSVBVBJCXJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2.C22H29N5.C16H26N2.C9H8ClN3O2/c1-5-32-23(31)20-15-27-22-19(16-28-29-22)21(20)30-12-10-25(26,11-13-30)14-17-6-8-18(9-7-17)24(2,3)4;1-21(2,3)17-6-4-16(5-7-17)14-22(23)9-12-27(13-10-22)19-8-11-24-20-18(19)15-25-26-20;1-15(2,3)14-6-4-13(5-7-14)12-16(17)8-10-18-11-9-16;1-2-15-9(14)6-3-11-8-5(7(6)10)4-12-13-8/h6-9,15-16H,5,10-14,26H2,1-4H3,(H,27,28,29);4-8,11,15H,9-10,12-14,23H2,1-3H3,(H,24,25,26);4-7,18H,8-12,17H2,1-3H3;3-4H,2H2,1H3,(H,11,12,13).

What are the key properties of 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?

4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 1271.11 g/mol, XLogP of 12.16, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-tert-butylphenyl)methyl]piperidin-4-amine;4-[(4-tert-butylphenyl)methyl]-1-(1H-pyrazolo[3,4-b]pyridin-4-yl)piperidin-4-amine;ethyl 4-[4-amino-4-[(4-tert-butylphenyl)methyl]piperidin-1-yl]-1H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 159852844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).