3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine

C24H32N2O — CID 10067368

IUPAC3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1
InChIInChI=1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2
InChIKeyIOCXEAYYBZJHHK-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.55
Rot. Bonds6

About 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine

3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 10067368) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID10067368
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1
InChIInChI=1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2
InChIKeyIOCXEAYYBZJHHK-UHFFFAOYSA-N
XLogP4.55
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine (CID 10067368) is 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine is c1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1.
What is the InChIKey of 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is IOCXEAYYBZJHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-3-8-23(9-4-1)26-17-12-21-10-11-24(20-22(21)13-18-26)27-19-7-16-25-14-5-2-6-15-25/h1,3-4,8-11,20H,2,5-7,12-19H2.
What are the key properties of 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine?
3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 364.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 10067368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).