6-(piperidin-3-ylmethoxymethyl)quinoline

C16H20N2O — CID 55060712

IUPAC6-(piperidin-3-ylmethoxymethyl)quinoline
SMILESc1cnc2ccc(COCC3CCCNC3)cc2c1
InChIInChI=1S/C16H20N2O/c1-3-14(10-17-7-1)12-19-11-13-5-6-16-15(9-13)4-2-8-18-16/h2,4-6,8-9,14,17H,1,3,7,10-12H2
InChIKeyIJNCKVGQTZWVQI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.75
Rot. Bonds4

About 6-(piperidin-3-ylmethoxymethyl)quinoline

6-(piperidin-3-ylmethoxymethyl)quinoline (PubChem CID 55060712) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(piperidin-3-ylmethoxymethyl)quinoline.

Molecular Properties

Compound Name6-(piperidin-3-ylmethoxymethyl)quinoline
PubChem CID55060712
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-(piperidin-3-ylmethoxymethyl)quinoline
SMILESc1cnc2ccc(COCC3CCCNC3)cc2c1
InChIInChI=1S/C16H20N2O/c1-3-14(10-17-7-1)12-19-11-13-5-6-16-15(9-13)4-2-8-18-16/h2,4-6,8-9,14,17H,1,3,7,10-12H2
InChIKeyIJNCKVGQTZWVQI-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-3-ylmethoxymethyl)quinoline?
The IUPAC name of 6-(piperidin-3-ylmethoxymethyl)quinoline (CID 55060712) is 6-(piperidin-3-ylmethoxymethyl)quinoline.
What is the SMILES notation for 6-(piperidin-3-ylmethoxymethyl)quinoline?
The canonical SMILES for 6-(piperidin-3-ylmethoxymethyl)quinoline is c1cnc2ccc(COCC3CCCNC3)cc2c1.
What is the InChIKey of 6-(piperidin-3-ylmethoxymethyl)quinoline?
The InChIKey is IJNCKVGQTZWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-14(10-17-7-1)12-19-11-13-5-6-16-15(9-13)4-2-8-18-16/h2,4-6,8-9,14,17H,1,3,7,10-12H2.
What are the key properties of 6-(piperidin-3-ylmethoxymethyl)quinoline?
6-(piperidin-3-ylmethoxymethyl)quinoline has a molecular weight of 256.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-3-ylmethoxymethyl)quinoline is sourced from PubChem (CID 55060712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).