2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine

C15H23ClN2O2 — CID 63631314

IUPAC2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-19-13-7-6-11(14(16)15(13)20-2)12(10-17)18-8-4-3-5-9-18/h6-7,12H,3-5,8-10,17H2,1-2H3
InChIKeyCRJMQJJRQWFIPF-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.84
Rot. Bonds5

About 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine

2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine (PubChem CID 63631314) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
PubChem CID63631314
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESCOc1ccc(C(CN)N2CCCCC2)c(Cl)c1OC
InChIInChI=1S/C15H23ClN2O2/c1-19-13-7-6-11(14(16)15(13)20-2)12(10-17)18-8-4-3-5-9-18/h6-7,12H,3-5,8-10,17H2,1-2H3
InChIKeyCRJMQJJRQWFIPF-UHFFFAOYSA-N
XLogP2.84
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-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

3-pyrrolidin-1-yl-3-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83934065
2-(2-chloro-3,4-dimethoxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)ethanamine
CID 83979242
2-(3-methylpiperidin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 171158059
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
(2R)-2-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 9161144
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
CID 82041916
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178940
2-(2-bromo-4-methoxyphenyl)-2-piperidin-1-ylethanamine
CID 112748975
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)pentyl]piperazine
CID 171308877
1-[(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163637

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine (CID 63631314) is 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine is COc1ccc(C(CN)N2CCCCC2)c(Cl)c1OC.
What is the InChIKey of 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is CRJMQJJRQWFIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-19-13-7-6-11(14(16)15(13)20-2)12(10-17)18-8-4-3-5-9-18/h6-7,12H,3-5,8-10,17H2,1-2H3.
What are the key properties of 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine?
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 298.81 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 63631314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).