5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline

C20H26N2O2 — CID 166450828

IUPAC5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline
SMILESCOc1ccc(COc2ccc(N3CCCC(C)C3)c(N)c2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-4-3-11-22(13-15)20-10-9-18(12-19(20)21)24-14-16-5-7-17(23-2)8-6-16/h5-10,12,15H,3-4,11,13-14,21H2,1-2H3
InChIKeyUEOCICRSJSPGMC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds5

About 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline

5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline (PubChem CID 166450828) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline
PubChem CID166450828
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline
SMILESCOc1ccc(COc2ccc(N3CCCC(C)C3)c(N)c2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-4-3-11-22(13-15)20-10-9-18(12-19(20)21)24-14-16-5-7-17(23-2)8-6-16/h5-10,12,15H,3-4,11,13-14,21H2,1-2H3
InChIKeyUEOCICRSJSPGMC-UHFFFAOYSA-N
XLogP4.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
1-N,1-N-dimethyl-4-(3-methylpiperidin-1-yl)benzene-1,3-diamine
CID 82021402
ethyl 3-amino-4-[(3R)-3-methylpiperidin-1-yl]benzoate
CID 86319022
2-(3-ethylazetidin-1-yl)-5-methoxyaniline
CID 79688157
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
5-methyl-2-(3-methylpyrrolidin-1-yl)aniline
CID 61227172
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
2-methoxy-N-[[3-methoxy-4-(3-methylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 84754239
6-methoxy-2-(3-methylpiperidin-1-yl)pyridin-1-ium-3-amine
CID 163791396
2-(methoxymethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 113401270

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline (CID 166450828) is 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline is COc1ccc(COc2ccc(N3CCCC(C)C3)c(N)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline?
The InChIKey is UEOCICRSJSPGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-4-3-11-22(13-15)20-10-9-18(12-19(20)21)24-14-16-5-7-17(23-2)8-6-16/h5-10,12,15H,3-4,11,13-14,21H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline?
5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline has a molecular weight of 326.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]-2-(3-methylpiperidin-1-yl)aniline is sourced from PubChem (CID 166450828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).