5-methyl-4-(piperidin-4-ylmethyl)quinoline

C16H20N2 — CID 18365374

IUPAC5-methyl-4-(piperidin-4-ylmethyl)quinoline
SMILESCc1cccc2nccc(CC3CCNCC3)c12
InChIInChI=1S/C16H20N2/c1-12-3-2-4-15-16(12)14(7-10-18-15)11-13-5-8-17-9-6-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3
InChIKeyLNQMIORUTGPZCG-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.09
Rot. Bonds2

About 5-methyl-4-(piperidin-4-ylmethyl)quinoline

5-methyl-4-(piperidin-4-ylmethyl)quinoline (PubChem CID 18365374) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-4-(piperidin-4-ylmethyl)quinoline.

Molecular Properties

Compound Name5-methyl-4-(piperidin-4-ylmethyl)quinoline
PubChem CID18365374
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-methyl-4-(piperidin-4-ylmethyl)quinoline
SMILESCc1cccc2nccc(CC3CCNCC3)c12
InChIInChI=1S/C16H20N2/c1-12-3-2-4-15-16(12)14(7-10-18-15)11-13-5-8-17-9-6-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3
InChIKeyLNQMIORUTGPZCG-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(piperidin-4-ylmethyl)quinoline?
The IUPAC name of 5-methyl-4-(piperidin-4-ylmethyl)quinoline (CID 18365374) is 5-methyl-4-(piperidin-4-ylmethyl)quinoline.
What is the SMILES notation for 5-methyl-4-(piperidin-4-ylmethyl)quinoline?
The canonical SMILES for 5-methyl-4-(piperidin-4-ylmethyl)quinoline is Cc1cccc2nccc(CC3CCNCC3)c12.
What is the InChIKey of 5-methyl-4-(piperidin-4-ylmethyl)quinoline?
The InChIKey is LNQMIORUTGPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12-3-2-4-15-16(12)14(7-10-18-15)11-13-5-8-17-9-6-13/h2-4,7,10,13,17H,5-6,8-9,11H2,1H3.
What are the key properties of 5-methyl-4-(piperidin-4-ylmethyl)quinoline?
5-methyl-4-(piperidin-4-ylmethyl)quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(piperidin-4-ylmethyl)quinoline is sourced from PubChem (CID 18365374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).