1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

C₂₂H₃₀N₂O₂ — CID 120781947

About 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120781947) has the molecular formula C₂₂H₃₀N₂O₂ and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
• PubChem CID: 120781947
• Molecular Formula: C₂₂H₃₀N₂O₂
• Molecular Weight: 354.49 g/mol
• Exact Mass: 354.23
• IUPAC Name: 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
• SMILES: COc1cc(CN2CCC(N)C(C)(C)C2)c(-c2ccccc2)cc1OC
• InChI: InChI=1S/C22H30N2O2/c1-22(2)15-24(11-10-21(22)23)14-17-12-19(25-3)20(26-4)13-18(17)16-8-6-5-7-9-16/h5-9,12-13,21H,10-11,14-15,23H2,1-4H3
• InChIKey: KZQVBOOLTYVCHX-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 47.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?

The IUPAC name of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120781947) is 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine.

What is the SMILES notation for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?

The canonical SMILES for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is COc1cc(CN2CCC(N)C(C)(C)C2)c(-c2ccccc2)cc1OC.

What is the InChIKey of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?

The InChIKey is KZQVBOOLTYVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-22(2)15-24(11-10-21(22)23)14-17-12-19(25-3)20(26-4)13-18(17)16-8-6-5-7-9-16/h5-9,12-13,21H,10-11,14-15,23H2,1-4H3.

What are the key properties of 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine?

1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 354.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120781947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120781947 — identifiers, structure, computed properties (public domain)

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