1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride

C24H31ClN2O — CID 159118932

About 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride

1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride (PubChem CID 159118932) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
• PubChem CID: 159118932
• Molecular Formula: C24H31ClN2O
• Molecular Weight: 398.98 g/mol
• Exact Mass: 398.21
• IUPAC Name: 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
• SMILES: CC(=O)C1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1.Cl
• InChI: InChI=1S/C24H30N2O.ClH/c1-19(27)22-10-6-15-25(18-22)16-7-17-26-23-11-4-2-8-20(23)13-14-21-9-3-5-12-24(21)26;/h2-5,8-9,11-12,22H,6-7,10,13-18H2,1H3;1H
• InChIKey: OHAASMNPSJYGEH-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 23.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.98
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride?

The IUPAC name of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride (CID 159118932) is 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride.

What is the SMILES notation for 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride?

The canonical SMILES for 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride is CC(=O)C1CCCN(CCCN2c3ccccc3CCc3ccccc32)C1.Cl.

What is the InChIKey of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride?

The InChIKey is OHAASMNPSJYGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O.ClH/c1-19(27)22-10-6-15-25(18-22)16-7-17-26-23-11-4-2-8-20(23)13-14-21-9-3-5-12-24(21)26;/h2-5,8-9,11-12,22H,6-7,10,13-18H2,1H3;1H.

What are the key properties of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride?

1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride has a molecular weight of 398.98 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 159118932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).