1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C32H40N2O3 — CID 69088663

About 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol

1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 69088663) has the molecular formula C32H40N2O3 and a molecular weight of 500.68 g/mol. Its IUPAC name is 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 69088663
• Molecular Formula: C32H40N2O3
• Molecular Weight: 500.68 g/mol
• Exact Mass: 500.30
• IUPAC Name: 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COc1ccc(-c2c(O)ccc3c2CCCC3)c(N)c1CCc1ccc(OCCN2CCCCC2)cc1
• InChI: InChI=1S/C32H40N2O3/c1-36-30-18-16-28(31-26-8-4-3-7-24(26)12-17-29(31)35)32(33)27(30)15-11-23-9-13-25(14-10-23)37-22-21-34-19-5-2-6-20-34/h9-10,12-14,16-18,35H,2-8,11,15,19-22,33H2,1H3
• InChIKey: BZXQOEIMMSFDSP-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 67.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.68
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 69088663) is 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccc(-c2c(O)ccc3c2CCCC3)c(N)c1CCc1ccc(OCCN2CCCCC2)cc1.

What is the InChIKey of 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is BZXQOEIMMSFDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O3/c1-36-30-18-16-28(31-26-8-4-3-7-24(26)12-17-29(31)35)32(33)27(30)15-11-23-9-13-25(14-10-23)37-22-21-34-19-5-2-6-20-34/h9-10,12-14,16-18,35H,2-8,11,15,19-22,33H2,1H3.

What are the key properties of 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol?

1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 500.68 g/mol, XLogP of 6.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-amino-4-methoxy-3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethyl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 69088663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).