4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine

C12H20N2O — CID 155215851

IUPAC4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine
SMILESCc1ccc(OC2CCN(C)CC2)n1C
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(14(10)3)15-11-6-8-13(2)9-7-11/h4-5,11H,6-9H2,1-3H3
InChIKeyOZLKOFOFFCKDAM-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.81
Rot. Bonds2

About 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine

4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine (PubChem CID 155215851) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine
PubChem CID155215851
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine
SMILESCc1ccc(OC2CCN(C)CC2)n1C
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(14(10)3)15-11-6-8-13(2)9-7-11/h4-5,11H,6-9H2,1-3H3
InChIKeyOZLKOFOFFCKDAM-UHFFFAOYSA-N
XLogP1.81
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methylphenoxy)-1-methylpiperidine
CID 90260319
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
4-(4-iodophenoxy)-1-methylpiperidine
CID 86710870
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
CID 18723191
2-methyl-4-(1-methylpiperidin-4-yl)oxypyridine
CID 70213870
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
1-methyl-4-(phenoxy)piperidine;bis(rhodium)
CID 170794183
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine?
The IUPAC name of 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine (CID 155215851) is 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine.
What is the SMILES notation for 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine?
The canonical SMILES for 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine is Cc1ccc(OC2CCN(C)CC2)n1C.
What is the InChIKey of 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine?
The InChIKey is OZLKOFOFFCKDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-5-12(14(10)3)15-11-6-8-13(2)9-7-11/h4-5,11H,6-9H2,1-3H3.
What are the key properties of 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine?
4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrrol-2-yl)oxy-1-methylpiperidine is sourced from PubChem (CID 155215851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).