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

C14H21IN2 — CID 55099801

IUPAC4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCc1cc(I)ccc1NCC1CCCCN1C
InChIInChI=1S/C14H21IN2/c1-11-9-12(15)6-7-14(11)16-10-13-5-3-4-8-17(13)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeySOVIVVVPCPDVRM-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.50
Rot. Bonds3

About 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline

4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 55099801) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID55099801
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCc1cc(I)ccc1NCC1CCCCN1C
InChIInChI=1S/C14H21IN2/c1-11-9-12(15)6-7-14(11)16-10-13-5-3-4-8-17(13)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeySOVIVVVPCPDVRM-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]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

3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
2-chloro-4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 107606615
4-N,4-N-diethyl-2-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 112720401
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
2,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962534
4-chloro-2-fluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658635
4-methyl-3-[(1-methylpiperidin-2-yl)methylamino]benzonitrile
CID 62658328
2-iodo-N-[(1-methylpiperidin-2-yl)methyl]-4-nitroaniline
CID 66095129
2,5-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62654307
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 55099801) is 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline is Cc1cc(I)ccc1NCC1CCCCN1C.
What is the InChIKey of 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is SOVIVVVPCPDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-11-9-12(15)6-7-14(11)16-10-13-5-3-4-8-17(13)2/h6-7,9,13,16H,3-5,8,10H2,1-2H3.
What are the key properties of 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline?
4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 344.24 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 55099801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).