5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

C34H41NO3 — CID 175994168

About 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol

5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 175994168) has the molecular formula C34H41NO3 and a molecular weight of 511.71 g/mol. Its IUPAC name is 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
• PubChem CID: 175994168
• Molecular Formula: C34H41NO3
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.31
• IUPAC Name: 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
• SMILES: COC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3cccc4c3CCCC4)cc2)CC1
• InChI: InChI=1S/C34H41NO3/c1-37-34(38-2)25-18-20-35(21-19-25)27-13-10-24(11-14-27)33-30-17-15-28(36)22-26(30)12-16-32(33)31-9-5-7-23-6-3-4-8-29(23)31/h5,7,9-11,13-15,17,22,25,32-34,36H,3-4,6,8,12,16,18-21H2,1-2H3
• InChIKey: AXTIDZZCXXPQDC-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The IUPAC name of 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 175994168) is 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol.

What is the SMILES notation for 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The canonical SMILES for 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is COC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3cccc4c3CCCC4)cc2)CC1.

What is the InChIKey of 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

The InChIKey is AXTIDZZCXXPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41NO3/c1-37-34(38-2)25-18-20-35(21-19-25)27-13-10-24(11-14-27)33-30-17-15-28(36)22-26(30)12-16-32(33)31-9-5-7-23-6-3-4-8-29(23)31/h5,7,9-11,13-15,17,22,25,32-34,36H,3-4,6,8,12,16,18-21H2,1-2H3.

What are the key properties of 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol?

5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 511.71 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 175994168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).