N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline

C18H23N3O — CID 166814790

IUPACN-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
SMILESCNc1ccc(-c2ccc(OC3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C18H23N3O/c1-19-15-5-3-14(4-6-15)18-8-7-17(13-20-18)22-16-9-11-21(2)12-10-16/h3-8,13,16,19H,9-12H2,1-2H3
InChIKeyGQPKLHAKPQNKNQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.26
Rot. Bonds4

About N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline

N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline (PubChem CID 166814790) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
PubChem CID166814790
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
SMILESCNc1ccc(-c2ccc(OC3CCN(C)CC3)cn2)cc1
InChIInChI=1S/C18H23N3O/c1-19-15-5-3-14(4-6-15)18-8-7-17(13-20-18)22-16-9-11-21(2)12-10-16/h3-8,13,16,19H,9-12H2,1-2H3
InChIKeyGQPKLHAKPQNKNQ-UHFFFAOYSA-N
XLogP3.26
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
5-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]pyridine-2,4-diamine
CID 171572533
1-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]propan-1-amine
CID 112584872
N-methyl-1-[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]ethanamine
CID 112741376
3-[[6-(4-methylphenyl)-3-pyridinyl]oxy]-1-azabicyclo[3.3.3]undecane
CID 90214485
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
5-(1-methylpyrrolidin-3-yl)oxypyridin-2-amine
CID 130834078
N-methyl-2-(1-methylpiperidin-4-yl)oxypyridin-4-amine;dihydrochloride
CID 66688370

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline?
The IUPAC name of N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline (CID 166814790) is N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline.
What is the SMILES notation for N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline?
The canonical SMILES for N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline is CNc1ccc(-c2ccc(OC3CCN(C)CC3)cn2)cc1.
What is the InChIKey of N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline?
The InChIKey is GQPKLHAKPQNKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-19-15-5-3-14(4-6-15)18-8-7-17(13-20-18)22-16-9-11-21(2)12-10-16/h3-8,13,16,19H,9-12H2,1-2H3.
What are the key properties of N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline?
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline has a molecular weight of 297.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline is sourced from PubChem (CID 166814790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).