8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride

C15H20Cl2N2O — CID 46735640

IUPAC8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c(OCC3CCNCC3)cccc2c1
InChIInChI=1S/C15H18N2O.2ClH/c1-3-13-4-2-8-17-15(13)14(5-1)18-11-12-6-9-16-10-7-12;;/h1-5,8,12,16H,6-7,9-11H2;2*1H
InChIKeyOBMJNFQZYVVUEB-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.46
Rot. Bonds3

About 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride

8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride (PubChem CID 46735640) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride.

Molecular Properties

Compound Name8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
PubChem CID46735640
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride
SMILESCl.Cl.c1cnc2c(OCC3CCNCC3)cccc2c1
InChIInChI=1S/C15H18N2O.2ClH/c1-3-13-4-2-8-17-15(13)14(5-1)18-11-12-6-9-16-10-7-12;;/h1-5,8,12,16H,6-7,9-11H2;2*1H
InChIKeyOBMJNFQZYVVUEB-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride?
The IUPAC name of 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride (CID 46735640) is 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride.
What is the SMILES notation for 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride?
The canonical SMILES for 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride is Cl.Cl.c1cnc2c(OCC3CCNCC3)cccc2c1.
What is the InChIKey of 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride?
The InChIKey is OBMJNFQZYVVUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.2ClH/c1-3-13-4-2-8-17-15(13)14(5-1)18-11-12-6-9-16-10-7-12;;/h1-5,8,12,16H,6-7,9-11H2;2*1H.
What are the key properties of 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride?
8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride has a molecular weight of 315.24 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-4-ylmethoxy)quinoline;dihydrochloride is sourced from PubChem (CID 46735640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).