1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol

C₂₁H₂₆ClNO — CID 12711955

About 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol

1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol (PubChem CID 12711955) has the molecular formula C₂₁H₂₆ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol.

Molecular Properties

• Compound Name: 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
• PubChem CID: 12711955
• Molecular Formula: C₂₁H₂₆ClNO
• Molecular Weight: 343.90 g/mol
• Exact Mass: 343.17
• IUPAC Name: 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
• SMILES: CN(C)C1(c2ccc(Cl)cc2)CCC(O)(Cc2ccccc2)CC1
• InChI: InChI=1S/C21H26ClNO/c1-23(2)21(18-8-10-19(22)11-9-18)14-12-20(24,13-15-21)16-17-6-4-3-5-7-17/h3-11,24H,12-16H2,1-2H3
• InChIKey: UBNJSUOLOCCDAI-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.90
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol?

The IUPAC name of 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol (CID 12711955) is 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol.

What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol?

The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol is CN(C)C1(c2ccc(Cl)cc2)CCC(O)(Cc2ccccc2)CC1.

What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol?

The InChIKey is UBNJSUOLOCCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c1-23(2)21(18-8-10-19(22)11-9-18)14-12-20(24,13-15-21)16-17-6-4-3-5-7-17/h3-11,24H,12-16H2,1-2H3.

What are the key properties of 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol?

1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol has a molecular weight of 343.90 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol is sourced from PubChem (CID 12711955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 12711955 — identifiers, structure, computed properties (public domain)

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