N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline

C19H24N2O — CID 166814764

IUPACN-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
SMILESCNc1cccc(-c2cccc(OC3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N2O/c1-20-17-7-3-5-15(13-17)16-6-4-8-19(14-16)22-18-9-11-21(2)12-10-18/h3-8,13-14,18,20H,9-12H2,1-2H3
InChIKeyJQWGGPXCMKQUCV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline

N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline (PubChem CID 166814764) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline.

Molecular Properties

Compound NameN-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
PubChem CID166814764
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
SMILESCNc1cccc(-c2cccc(OC3CCN(C)CC3)c2)c1
InChIInChI=1S/C19H24N2O/c1-20-17-7-3-5-15(13-17)16-6-4-8-19(14-16)22-18-9-11-21(2)12-10-18/h3-8,13-14,18,20H,9-12H2,1-2H3
InChIKeyJQWGGPXCMKQUCV-UHFFFAOYSA-N
XLogP3.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The IUPAC name of N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline (CID 166814764) is N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline.
What is the SMILES notation for N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The canonical SMILES for N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline is CNc1cccc(-c2cccc(OC3CCN(C)CC3)c2)c1.
What is the InChIKey of N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
The InChIKey is JQWGGPXCMKQUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-17-7-3-5-15(13-17)16-6-4-8-19(14-16)22-18-9-11-21(2)12-10-18/h3-8,13-14,18,20H,9-12H2,1-2H3.
What are the key properties of N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline?
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline has a molecular weight of 296.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline is sourced from PubChem (CID 166814764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).