7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C27H37NO — CID 10296162

About 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 10296162) has the molecular formula C27H37NO and a molecular weight of 391.60 g/mol. Its IUPAC name is 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

• Compound Name: 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
• PubChem CID: 10296162
• Molecular Formula: C27H37NO
• Molecular Weight: 391.60 g/mol
• Exact Mass: 391.29
• IUPAC Name: 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
• SMILES: Cc1ccc(C)c2c1CCC(CN1CCC(c3c(C)cccc3C)CC1)CC2O
• InChI: InChI=1S/C27H37NO/c1-18-8-9-21(4)27-24(18)11-10-22(16-25(27)29)17-28-14-12-23(13-15-28)26-19(2)6-5-7-20(26)3/h5-9,22-23,25,29H,10-17H2,1-4H3
• InChIKey: SNTRORMCYDANQB-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	391.60
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?

The IUPAC name of 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 10296162) is 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

What is the SMILES notation for 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?

The canonical SMILES for 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is Cc1ccc(C)c2c1CCC(CN1CCC(c3c(C)cccc3C)CC1)CC2O.

What is the InChIKey of 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?

The InChIKey is SNTRORMCYDANQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO/c1-18-8-9-21(4)27-24(18)11-10-22(16-25(27)29)17-28-14-12-23(13-15-28)26-19(2)6-5-7-20(26)3/h5-9,22-23,25,29H,10-17H2,1-4H3.

What are the key properties of 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?

7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 391.60 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 10296162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).