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

C21H28N2O2 — CID 11494571

IUPAC1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(c3ccc(C)c(C)c3)C2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-14-5-6-16(11-15(14)2)18-13-23(10-9-19(18)22)17-7-8-20(24-3)21(12-17)25-4/h5-8,11-12,18-19H,9-10,13,22H2,1-4H3
InChIKeyWKWHPPKMVLQTBL-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.64
Rot. Bonds4

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

1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine (PubChem CID 11494571) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
PubChem CID11494571
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine
SMILESCOc1ccc(N2CCC(N)C(c3ccc(C)c(C)c3)C2)cc1OC
InChIInChI=1S/C21H28N2O2/c1-14-5-6-16(11-15(14)2)18-13-23(10-9-19(18)22)17-7-8-20(24-3)21(12-17)25-4/h5-8,11-12,18-19H,9-10,13,22H2,1-4H3
InChIKeyWKWHPPKMVLQTBL-UHFFFAOYSA-N
XLogP3.64
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide
CID 2212069
1-(3,4-Dimethoxyphenyl)-3-m-tolylpiperidin-4-amine
CID 11617492
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4-dimethylphenyl)prop-2-enamide
CID 44435899
N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 970036
N-benzhydryl-3,4,5-trimethoxyaniline
CID 2531134
(3R,4S)-1-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)piperidin-4-amine
CID 24798721
N-benzhydryl-4,5-dimethoxy-2-methylaniline
CID 2490040
4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
CID 14183202
Icmt-IN-8
CID 53387553
1-(3,4-Dimethoxyphenyl)-4-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-1-yl]piperidine
CID 134156929
N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 971456
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2545817

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine (CID 11494571) is 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine is COc1ccc(N2CCC(N)C(c3ccc(C)c(C)c3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine?
The InChIKey is WKWHPPKMVLQTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-5-6-16(11-15(14)2)18-13-23(10-9-19(18)22)17-7-8-20(24-3)21(12-17)25-4/h5-8,11-12,18-19H,9-10,13,22H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine?
1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)piperidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.64, 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-(3,4-dimethylphenyl)piperidin-4-amine is sourced from PubChem (CID 11494571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).