3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine

C19H28N2O — CID 68506105

IUPAC3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OC1CCNCC1)CCN(C1CCC1)CC2
InChIInChI=1S/C19H28N2O/c1-2-17(3-1)21-12-8-15-4-5-19(14-16(15)9-13-21)22-18-6-10-20-11-7-18/h4-5,14,17-18,20H,1-3,6-13H2
InChIKeyYLZVBZKBNMZJLE-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.77
Rot. Bonds3

About 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine

3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 68506105) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID68506105
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OC1CCNCC1)CCN(C1CCC1)CC2
InChIInChI=1S/C19H28N2O/c1-2-17(3-1)21-12-8-15-4-5-19(14-16(15)9-13-21)22-18-6-10-20-11-7-18/h4-5,14,17-18,20H,1-3,6-13H2
InChIKeyYLZVBZKBNMZJLE-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-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 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine (CID 68506105) is 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine is c1cc2c(cc1OC1CCNCC1)CCN(C1CCC1)CC2.
What is the InChIKey of 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is YLZVBZKBNMZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-17(3-1)21-12-8-15-4-5-19(14-16(15)9-13-21)22-18-6-10-20-11-7-18/h4-5,14,17-18,20H,1-3,6-13H2.
What are the key properties of 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 300.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-piperidin-4-yloxy-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 68506105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).