3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline

C14H22N2O — CID 112648511

IUPAC3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCc1cc(N)cc(OCC2CCCCN2C)c1
InChIInChI=1S/C14H22N2O/c1-11-7-12(15)9-14(8-11)17-10-13-5-3-4-6-16(13)2/h7-9,13H,3-6,10,15H2,1-2H3
InChIKeyPJISINONUXUDDO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.44
Rot. Bonds3

About 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline

3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline (PubChem CID 112648511) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
PubChem CID112648511
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCc1cc(N)cc(OCC2CCCCN2C)c1
InChIInChI=1S/C14H22N2O/c1-11-7-12(15)9-14(8-11)17-10-13-5-3-4-6-16(13)2/h7-9,13H,3-6,10,15H2,1-2H3
InChIKeyPJISINONUXUDDO-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]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

3,5-difluoro-4-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472075
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-5-amine
CID 65472450
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-amine
CID 80877128
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
2-fluoro-5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridin-3-amine
CID 54448994
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
[2-methyl-6-[(1-methylpiperidin-2-yl)methoxy]pyrimidin-4-yl]hydrazine
CID 80921266
5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 66110381
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline?
The IUPAC name of 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline (CID 112648511) is 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline.
What is the SMILES notation for 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline?
The canonical SMILES for 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline is Cc1cc(N)cc(OCC2CCCCN2C)c1.
What is the InChIKey of 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline?
The InChIKey is PJISINONUXUDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-12(15)9-14(8-11)17-10-13-5-3-4-6-16(13)2/h7-9,13H,3-6,10,15H2,1-2H3.
What are the key properties of 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline?
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline has a molecular weight of 234.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline is sourced from PubChem (CID 112648511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).