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

C34H44N2O3 — CID 178025148

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

5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine (PubChem CID 178025148) has the molecular formula C34H44N2O3 and a molecular weight of 528.74 g/mol. Its IUPAC name is 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine.

Molecular Properties

• Compound Name: 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
• PubChem CID: 178025148
• Molecular Formula: C34H44N2O3
• Molecular Weight: 528.74 g/mol
• Exact Mass: 528.34
• IUPAC Name: 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine
• SMILES: C1CCNC1.COC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)CC1
• InChI: InChI=1S/C30H35NO3.C4H9N/c1-33-30(34-2)23-16-18-31(19-17-23)25-11-8-22(9-12-25)29-27(21-6-4-3-5-7-21)14-10-24-20-26(32)13-15-28(24)29;1-2-4-5-3-1/h3-9,11-13,15,20,23,27,29-30,32H,10,14,16-19H2,1-2H3;5H,1-4H2
• InChIKey: CDGJMTFIQPTQBW-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 53.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.74
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine?

The IUPAC name of 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine (CID 178025148) is 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine.

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

The canonical SMILES for 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine is C1CCNC1.COC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CCC3c3ccccc3)cc2)CC1.

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

The InChIKey is CDGJMTFIQPTQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO3.C4H9N/c1-33-30(34-2)23-16-18-31(19-17-23)25-11-8-22(9-12-25)29-27(21-6-4-3-5-7-21)14-10-24-20-26(32)13-15-28(24)29;1-2-4-5-3-1/h3-9,11-13,15,20,23,27,29-30,32H,10,14,16-19H2,1-2H3;5H,1-4H2.

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

5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine has a molecular weight of 528.74 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(dimethoxymethyl)piperidin-1-yl]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;pyrrolidine is sourced from PubChem (CID 178025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).