3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

C15H23IN2 — CID 113368981

IUPAC3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCc1c(I)cccc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C15H23IN2/c1-11-14(16)7-4-8-15(11)17-12(2)13-6-5-9-18(3)10-13/h4,7-8,12-13,17H,5-6,9-10H2,1-3H3
InChIKeyYTDGTOCLIZIIIZ-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.74
Rot. Bonds3

About 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline

3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (PubChem CID 113368981) has the molecular formula C15H23IN2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.

Molecular Properties

Compound Name3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
PubChem CID113368981
Molecular FormulaC15H23IN2
Molecular Weight358.27 g/mol
Exact Mass358.09
IUPAC Name3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
SMILESCc1c(I)cccc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C15H23IN2/c1-11-14(16)7-4-8-15(11)17-12(2)13-6-5-9-18(3)10-13/h4,7-8,12-13,17H,5-6,9-10H2,1-3H3
InChIKeyYTDGTOCLIZIIIZ-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline 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

2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
2-bromo-4-chloro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 81263405

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The IUPAC name of 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline (CID 113368981) is 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline.
What is the SMILES notation for 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The canonical SMILES for 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is Cc1c(I)cccc1NC(C)C1CCCN(C)C1.
What is the InChIKey of 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
The InChIKey is YTDGTOCLIZIIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2/c1-11-14(16)7-4-8-15(11)17-12(2)13-6-5-9-18(3)10-13/h4,7-8,12-13,17H,5-6,9-10H2,1-3H3.
What are the key properties of 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline?
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline has a molecular weight of 358.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline is sourced from PubChem (CID 113368981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).