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

C25H32Cl3NO — CID 10162201

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

7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride (PubChem CID 10162201) has the molecular formula C25H32Cl3NO and a molecular weight of 468.90 g/mol. Its IUPAC name is 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride.

Molecular Properties

• Compound Name: 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
• PubChem CID: 10162201
• Molecular Formula: C25H32Cl3NO
• Molecular Weight: 468.90 g/mol
• Exact Mass: 467.15
• IUPAC Name: 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride
• SMILES: Cc1ccc(C)c2c1CCC(CN1CCC(c3c(Cl)cccc3Cl)CC1)CC2O.Cl
• InChI: InChI=1S/C25H31Cl2NO.ClH/c1-16-6-7-17(2)24-20(16)9-8-18(14-23(24)29)15-28-12-10-19(11-13-28)25-21(26)4-3-5-22(25)27;/h3-7,18-19,23,29H,8-15H2,1-2H3;1H
• InChIKey: OYGBHUGZBLNRIB-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.90
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride (CID 10162201) is 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride.

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

The canonical SMILES for 7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride is Cc1ccc(C)c2c1CCC(CN1CCC(c3c(Cl)cccc3Cl)CC1)CC2O.Cl.

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

The InChIKey is OYGBHUGZBLNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2NO.ClH/c1-16-6-7-17(2)24-20(16)9-8-18(14-23(24)29)15-28-12-10-19(11-13-28)25-21(26)4-3-5-22(25)27;/h3-7,18-19,23,29H,8-15H2,1-2H3;1H.

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

7-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride has a molecular weight of 468.90 g/mol, XLogP of 6.90, 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-dichlorophenyl)piperidin-1-yl]methyl]-1,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol;hydrochloride is sourced from PubChem (CID 10162201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).