6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine

C17H26N2O — CID 120849067

IUPAC6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cccc2c1CCN(CC1CCCNC1)CC2
InChIInChI=1S/C17H26N2O/c1-20-17-6-2-5-15-7-10-19(11-8-16(15)17)13-14-4-3-9-18-12-14/h2,5-6,14,18H,3-4,7-13H2,1H3
InChIKeyOZUUJIMAOFLRHD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.10
Rot. Bonds3

About 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine

6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 120849067) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID120849067
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCOc1cccc2c1CCN(CC1CCCNC1)CC2
InChIInChI=1S/C17H26N2O/c1-20-17-6-2-5-15-7-10-19(11-8-16(15)17)13-14-4-3-9-18-12-14/h2,5-6,14,18H,3-4,7-13H2,1H3
InChIKeyOZUUJIMAOFLRHD-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine (CID 120849067) is 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine is COc1cccc2c1CCN(CC1CCCNC1)CC2.
What is the InChIKey of 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is OZUUJIMAOFLRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-17-6-2-5-15-7-10-19(11-8-16(15)17)13-14-4-3-9-18-12-14/h2,5-6,14,18H,3-4,7-13H2,1H3.
What are the key properties of 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine?
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 274.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 120849067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).