3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine

C18H26N2O — CID 169114461

IUPAC3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(c2ccc(OC3CCN(C)CC3)cc2)=NC1
InChIInChI=1S/C18H26N2O/c1-14-3-8-18(19-13-14)15-4-6-16(7-5-15)21-17-9-11-20(2)12-10-17/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyKGICXJNFVHXGFF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.38
Rot. Bonds3

About 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine

3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine (PubChem CID 169114461) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine
PubChem CID169114461
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine
SMILESCC1CCC(c2ccc(OC3CCN(C)CC3)cc2)=NC1
InChIInChI=1S/C18H26N2O/c1-14-3-8-18(19-13-14)15-4-6-16(7-5-15)21-17-9-11-20(2)12-10-17/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyKGICXJNFVHXGFF-UHFFFAOYSA-N
XLogP3.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
1-methyl-4-[4-(2-phenylethynyl)phenoxy]piperidine
CID 134126073
2-bromo-5-(1-methylpiperidin-4-yl)oxypyridine
CID 129202847
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]imidazo[1,2-a]pyridine
CID 164752618
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N-methyl-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]aniline
CID 166814790
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191
2-(1-methylpyrrolidin-3-yl)-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]indazole
CID 170056037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine (CID 169114461) is 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine is CC1CCC(c2ccc(OC3CCN(C)CC3)cc2)=NC1.
What is the InChIKey of 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is KGICXJNFVHXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-3-8-18(19-13-14)15-4-6-16(7-5-15)21-17-9-11-20(2)12-10-17/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine?
3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 286.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 169114461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).