2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

C23H29N3O — CID 9417

IUPAC2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
InChIKeyYNZFUWZUGRBMHL-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol

2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol (PubChem CID 9417) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
PubChem CID9417
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2
InChIKeyYNZFUWZUGRBMHL-UHFFFAOYSA-N
XLogP3.31
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol;hydrochloride
CID 22313116
11-[3-(4-methyl-1,4-diazepan-1-yl)propyl]benzo[b][1]benzazepine
CID 110175014
4-benzo[b][1]benzazepin-11-ylbutan-1-ol
CID 10869189
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
CID 174711230
bis((Z)-but-2-enedioic acid);11-[4-(4-methylpiperazin-1-yl)butyl]benzo[b][1]benzazepine
CID 25111222
4-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-diazepan-1-yl]butyl benzoate
CID 110175078
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)-1,4-dioxidopiperazine-1,4-diium-1-yl]ethanol
CID 129318553
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;10H-phenothiazine
CID 18787839
10-[3-(4-methylpiperazin-1-yl)propyl]phenoxazine
CID 59372977
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol (CID 9417) is 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol is OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol?
The InChIKey is YNZFUWZUGRBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-19-18-25-16-14-24(15-17-25)12-5-13-26-22-8-3-1-6-20(22)10-11-21-7-2-4-9-23(21)26/h1-4,6-11,27H,5,12-19H2.
What are the key properties of 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol?
2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol has a molecular weight of 363.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-benzo[b][1]benzazepin-11-ylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 9417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).