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

C14H22N2O — CID 65472061

IUPAC5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCc1ccc(OCC2CCCCN2C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11-6-7-14(13(15)9-11)17-10-12-5-3-4-8-16(12)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyZNYFBFZFSKFXDV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.44
Rot. Bonds3

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

5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline (PubChem CID 65472061) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
PubChem CID65472061
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
SMILESCc1ccc(OCC2CCCCN2C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-11-6-7-14(13(15)9-11)17-10-12-5-3-4-8-16(12)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3
InChIKeyZNYFBFZFSKFXDV-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'}

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Related Compounds

5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
4-[(1-methylpiperidin-2-yl)methoxy]pyridin-3-amine
CID 65472260
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 107930849
5-bromo-4-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 66110381
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
[3-chloro-4-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 65471883
2-[[(2S)-1-methylazetidin-2-yl]methoxy]-5-(trifluoromethyl)aniline
CID 150636929
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
2-[2-(azepan-1-yl)ethoxy]-5-methylaniline;dihydrochloride
CID 46736515
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 169372163
3-bromo-4-[(1-methylpiperidin-2-yl)methoxy]benzenecarbothioamide
CID 82805149

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The IUPAC name of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline (CID 65472061) is 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline.
What is the SMILES notation for 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The canonical SMILES for 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline is Cc1ccc(OCC2CCCCN2C)c(N)c1.
What is the InChIKey of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
The InChIKey is ZNYFBFZFSKFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-14(13(15)9-11)17-10-12-5-3-4-8-16(12)2/h6-7,9,12H,3-5,8,10,15H2,1-2H3.
What are the key properties of 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline?
5-methyl-2-[(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 5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline is sourced from PubChem (CID 65472061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).