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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Related Compounds

4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]adamantane-1-carboxamide
CID 118063091
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
CID 82245812
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
12-[3-(1-methylpiperidin-4-yl)oxyphenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266591
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide
CID 144842995
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
CID 166814790
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
CID 144843031
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117377386

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).