1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine

C20H26N2O2 — CID 11617492

IUPAC1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(c3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3
InChIKeyDQJXBZGPJVSWFI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.33
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine

1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine (PubChem CID 11617492) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
PubChem CID11617492
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(c3cccc(C)c3)C2)cc1OC
InChIInChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3
InChIKeyDQJXBZGPJVSWFI-UHFFFAOYSA-N
XLogP3.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine (CID 11617492) is 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine is COc1ccc(N2CCC(N)C(c3cccc(C)c3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine?
The InChIKey is DQJXBZGPJVSWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-5-4-6-15(11-14)17-13-22(10-9-18(17)21)16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17-18H,9-10,13,21H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine?
1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 11617492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).