tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride

C67H78ClN9O4 — CID 160716532

About tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride

tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 160716532) has the molecular formula C67H78ClN9O4 and a molecular weight of 1108.87 g/mol. Its IUPAC name is tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 160716532
• Molecular Formula: C67H78ClN9O4
• Molecular Weight: 1108.87 g/mol
• Exact Mass: 1107.59
• IUPAC Name: tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: C(=C\c1ccnc2c1-c1ccccc1C2)\CN1CCNCC1.CC(C)(C)OC(=O)N1CCN(C/C=C\c2ccnc3c2-c2ccccc2C3)CC1.CC(C)(C)OC(=O)N1CCN(CC#Cc2ccnc3c2-c2ccccc2C3)CC1.Cl
• InChI: InChI=1S/C24H29N3O2.C24H27N3O2.C19H21N3.ClH/c2*1-24(2,3)29-23(28)27-15-13-26(14-16-27)12-6-8-18-10-11-25-21-17-19-7-4-5-9-20(19)22(18)21;1-2-6-17-16(4-1)14-18-19(17)15(7-8-21-18)5-3-11-22-12-9-20-10-13-22;/h4-11H,12-17H2,1-3H3;4-5,7,9-11H,12-17H2,1-3H3;1-8,20H,9-14H2;1H/b8-6-;;5-3-
• InChIKey: OTTGRIAIZDFORK-JDGLQBIMSA-N
• XLogP: 10.77
• TPSA: 119.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1108.87
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride (CID 160716532) is tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride.

What is the SMILES notation for tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The canonical SMILES for tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride is C(=C\c1ccnc2c1-c1ccccc1C2)\CN1CCNCC1.CC(C)(C)OC(=O)N1CCN(C/C=C\c2ccnc3c2-c2ccccc2C3)CC1.CC(C)(C)OC(=O)N1CCN(CC#Cc2ccnc3c2-c2ccccc2C3)CC1.Cl.

What is the InChIKey of tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is OTTGRIAIZDFORK-JDGLQBIMSA-N. The full InChI is InChI=1S/C24H29N3O2.C24H27N3O2.C19H21N3.ClH/c2*1-24(2,3)29-23(28)27-15-13-26(14-16-27)12-6-8-18-10-11-25-21-17-19-7-4-5-9-20(19)22(18)21;1-2-6-17-16(4-1)14-18-19(17)15(7-8-21-18)5-3-11-22-12-9-20-10-13-22;/h4-11H,12-17H2,1-3H3;4-5,7,9-11H,12-17H2,1-3H3;1-8,20H,9-14H2;1H/b8-6-;;5-3-;.

What are the key properties of tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride?

tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1108.87 g/mol, XLogP of 10.77, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(Z)-3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-enyl]piperazine-1-carboxylate;tert-butyl 4-[3-(9H-indeno[2,1-b]pyridin-4-yl)prop-2-ynyl]piperazine-1-carboxylate;4-[(Z)-3-piperazin-1-ylprop-1-enyl]-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 160716532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).