(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone

C20H22N2O2 — CID 70515285

IUPAC(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C20H22N2O2/c23-19-14-15-8-2-4-10-17(15)22(18-11-5-3-9-16(18)19)20(24)21-12-6-1-7-13-21/h2-5,8-11,19,23H,1,6-7,12-14H2
InChIKeyOITDUSPUAQHBOI-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.02
Rot. Bonds

About (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone

(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone (PubChem CID 70515285) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone
PubChem CID70515285
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1c2ccccc2CC(O)c2ccccc21
InChIInChI=1S/C20H22N2O2/c23-19-14-15-8-2-4-10-17(15)22(18-11-5-3-9-16(18)19)20(24)21-12-6-1-7-13-21/h2-5,8-11,19,23H,1,6-7,12-14H2
InChIKeyOITDUSPUAQHBOI-UHFFFAOYSA-N
XLogP4.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone (CID 70515285) is (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1c2ccccc2CC(O)c2ccccc21.
What is the InChIKey of (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone?
The InChIKey is OITDUSPUAQHBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-19-14-15-8-2-4-10-17(15)22(18-11-5-3-9-16(18)19)20(24)21-12-6-1-7-13-21/h2-5,8-11,19,23H,1,6-7,12-14H2.
What are the key properties of (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone?
(5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 4.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 70515285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).