4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile

C17H19N3O — CID 107392588

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCOC1(C)CCCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3O/c1-17(21-2)8-5-9-20(12-17)16-13(10-18)11-19-15-7-4-3-6-14(15)16/h3-4,6-7,11H,5,8-9,12H2,1-2H3
InChIKeyBYNGRBXBRUEZEC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.11
Rot. Bonds2

About 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile

4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile (PubChem CID 107392588) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
PubChem CID107392588
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
SMILESCOC1(C)CCCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H19N3O/c1-17(21-2)8-5-9-20(12-17)16-13(10-18)11-19-15-7-4-3-6-14(15)16/h3-4,6-7,11H,5,8-9,12H2,1-2H3
InChIKeyBYNGRBXBRUEZEC-UHFFFAOYSA-N
XLogP3.11
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
4-[2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinoline-3-carbonitrile
CID 133365012
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile (CID 107392588) is 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile is COC1(C)CCCN(c2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile?
The InChIKey is BYNGRBXBRUEZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-17(21-2)8-5-9-20(12-17)16-13(10-18)11-19-15-7-4-3-6-14(15)16/h3-4,6-7,11H,5,8-9,12H2,1-2H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile?
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 107392588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).