1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol

C24H30N2O — CID 20657930

IUPAC1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol
SMILESC=C(O)C1CCCCN1CCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H30N2O/c1-19(27)22-11-6-7-16-25(22)17-8-18-26-23-12-4-2-9-20(23)14-15-21-10-3-5-13-24(21)26/h2-5,9-10,12-13,22,27H,1,6-8,11,14-18H2
InChIKeySMNLRYIBDMAEMH-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.24
Rot. Bonds5

About 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol

1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol (PubChem CID 20657930) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol.

Molecular Properties

Compound Name1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol
PubChem CID20657930
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol
SMILESC=C(O)C1CCCCN1CCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H30N2O/c1-19(27)22-11-6-7-16-25(22)17-8-18-26-23-12-4-2-9-20(23)14-15-21-10-3-5-13-24(21)26/h2-5,9-10,12-13,22,27H,1,6-8,11,14-18H2
InChIKeySMNLRYIBDMAEMH-UHFFFAOYSA-N
XLogP5.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol?
The IUPAC name of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol (CID 20657930) is 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol.
What is the SMILES notation for 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol?
The canonical SMILES for 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol is C=C(O)C1CCCCN1CCCN1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol?
The InChIKey is SMNLRYIBDMAEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-19(27)22-11-6-7-16-25(22)17-8-18-26-23-12-4-2-9-20(23)14-15-21-10-3-5-13-24(21)26/h2-5,9-10,12-13,22,27H,1,6-8,11,14-18H2.
What are the key properties of 1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol?
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-2-yl]ethenol has a molecular weight of 362.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 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-2-yl]ethenol is sourced from PubChem (CID 20657930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).