tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride

C87H110BrClN12O6 — CID 158907938

About tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride

tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride (PubChem CID 158907938) has the molecular formula C87H110BrClN12O6 and a molecular weight of 1535.27 g/mol. Its IUPAC name is tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride
• PubChem CID: 158907938
• Molecular Formula: C87H110BrClN12O6
• Molecular Weight: 1535.27 g/mol
• Exact Mass: 1532.75
• IUPAC Name: tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(c2ncccc2Br)CC1.CC(C)(C)OC(=O)N1CCC(c2ncccc2N2CCc3ccccc32)CC1.CC(C)(C)OC(=O)N1CCC(c2ncccc2N2CCc3ccccc32)CC1.Cl.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2c1cccnc1C1CCNCC1
• InChI: InChI=1S/2C23H29N3O2.C18H21N3.C15H21BrN2O2.C8H9N.ClH/c2*1-23(2,3)28-22(27)25-14-10-18(11-15-25)21-20(9-6-13-24-21)26-16-12-17-7-4-5-8-19(17)26;1-2-5-16-14(4-1)9-13-21(16)17-6-3-10-20-18(17)15-7-11-19-12-8-15;1-15(2,3)20-14(19)18-9-6-11(7-10-18)13-12(16)5-4-8-17-13;1-2-4-8-7(3-1)5-6-9-8;/h2*4-9,13,18H,10-12,14-16H2,1-3H3;1-6,10,15,19H,7-9,11-13H2;4-5,8,11H,6-7,9-10H2,1-3H3;1-4,9H,5-6H2;1H
• InChIKey: SNBHDNHPIAJNGF-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 173.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.27
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride?

The IUPAC name of tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride (CID 158907938) is tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride.

What is the SMILES notation for tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride?

The canonical SMILES for tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride is CC(C)(C)OC(=O)N1CCC(c2ncccc2Br)CC1.CC(C)(C)OC(=O)N1CCC(c2ncccc2N2CCc3ccccc32)CC1.CC(C)(C)OC(=O)N1CCC(c2ncccc2N2CCc3ccccc32)CC1.Cl.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCN2c1cccnc1C1CCNCC1.

What is the InChIKey of tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride?

The InChIKey is SNBHDNHPIAJNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N3O2.C18H21N3.C15H21BrN2O2.C8H9N.ClH/c2*1-23(2,3)28-22(27)25-14-10-18(11-15-25)21-20(9-6-13-24-21)26-16-12-17-7-4-5-8-19(17)26;1-2-5-16-14(4-1)9-13-21(16)17-6-3-10-20-18(17)15-7-11-19-12-8-15;1-15(2,3)20-14(19)18-9-6-11(7-10-18)13-12(16)5-4-8-17-13;1-2-4-8-7(3-1)5-6-9-8;/h2*4-9,13,18H,10-12,14-16H2,1-3H3;1-6,10,15,19H,7-9,11-13H2;4-5,8,11H,6-7,9-10H2,1-3H3;1-4,9H,5-6H2;1H.

What are the key properties of tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride?

tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride has a molecular weight of 1535.27 g/mol, XLogP of 19.06, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 158907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).