7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine

C17H26N2O — CID 10423494

IUPAC7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1cc2c(cc1OCCN1CCCCC1)CCNCC2
InChIInChI=1S/C17H26N2O/c1-2-10-19(11-3-1)12-13-20-17-5-4-15-6-8-18-9-7-16(15)14-17/h4-5,14,18H,1-3,6-13H2
InChIKeyKWEZWIYXNRSXFQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.24
Rot. Bonds4

About 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine

7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 10423494) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID10423494
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1cc2c(cc1OCCN1CCCCC1)CCNCC2
InChIInChI=1S/C17H26N2O/c1-2-10-19(11-3-1)12-13-20-17-5-4-15-6-8-18-9-7-16(15)14-17/h4-5,14,18H,1-3,6-13H2
InChIKeyKWEZWIYXNRSXFQ-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 10423494) is 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine is c1cc2c(cc1OCCN1CCCCC1)CCNCC2.
What is the InChIKey of 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is KWEZWIYXNRSXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-10-19(11-3-1)12-13-20-17-5-4-15-6-8-18-9-7-16(15)14-17/h4-5,14,18H,1-3,6-13H2.
What are the key properties of 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 274.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 10423494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).