1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine

C16H26N2O — CID 116936357

IUPAC1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
SMILESCOc1cc(C)c(C)cc1C(N)CC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-11-7-14(16(19-3)8-12(11)2)15(17)9-13-5-4-6-18-10-13/h7-8,13,15,18H,4-6,9-10,17H2,1-3H3
InChIKeyGFYGODRZYIBDAS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.70
Rot. Bonds4

About 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine

1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine (PubChem CID 116936357) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
PubChem CID116936357
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
SMILESCOc1cc(C)c(C)cc1C(N)CC1CCCNC1
InChIInChI=1S/C16H26N2O/c1-11-7-14(16(19-3)8-12(11)2)15(17)9-13-5-4-6-18-10-13/h7-8,13,15,18H,4-6,9-10,17H2,1-3H3
InChIKeyGFYGODRZYIBDAS-UHFFFAOYSA-N
XLogP2.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine 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-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338
1-(4-methoxy-2,5-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936466
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
1-(2-methoxy-4,5-dimethylphenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951266
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
1-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-2-ylethanamine
CID 116936006
1-(4-bromo-2,5-dimethoxyphenyl)-2-cycloheptylethanamine
CID 105056685
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine (CID 116936357) is 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine is COc1cc(C)c(C)cc1C(N)CC1CCCNC1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine?
The InChIKey is GFYGODRZYIBDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-14(16(19-3)8-12(11)2)15(17)9-13-5-4-6-18-10-13/h7-8,13,15,18H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine?
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).