1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine

C14H22N2O2 — CID 54975867

IUPAC1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N)CC2C)cc1OC
InChIInChI=1S/C14H22N2O2/c1-10-8-11(15)6-7-16(10)12-4-5-13(17-2)14(9-12)18-3/h4-5,9-11H,6-8,15H2,1-3H3
InChIKeyKZWKXLQBUXKUHM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.02
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine

1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine (PubChem CID 54975867) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
PubChem CID54975867
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine
SMILESCOc1ccc(N2CCC(N)CC2C)cc1OC
InChIInChI=1S/C14H22N2O2/c1-10-8-11(15)6-7-16(10)12-4-5-13(17-2)14(9-12)18-3/h4-5,9-11H,6-8,15H2,1-3H3
InChIKeyKZWKXLQBUXKUHM-UHFFFAOYSA-N
XLogP2.02
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.02
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)-2-methylpiperidin-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

1-(4-Methoxyphenyl)piperazine
CID 269722
N-(3-methoxyphenyl)piperazine
CID 81430
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
2-cyano-N-(3,4-dimethoxyphenyl)acetamide
CID 3788216
3-(2-(Dimethylamino)ethoxy)-4-methoxyaniline
CID 10560398
N-ethyl-3-methoxyaniline
CID 586008
1,3-Benzodioxol-5-amine, N-ethyl-
CID 118365
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160
N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
CID 742837
N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 970603
N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 971960
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 3365341

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine (CID 54975867) is 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine is COc1ccc(N2CCC(N)CC2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine?
The InChIKey is KZWKXLQBUXKUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-11(15)6-7-16(10)12-4-5-13(17-2)14(9-12)18-3/h4-5,9-11H,6-8,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine?
1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine has a molecular weight of 250.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 54975867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).