3-(piperidin-4-ylmethyl)quinoline;dihydrochloride

C15H20Cl2N2 — CID 53407804

IUPAC3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2ncc(CC3CCNCC3)cc2c1
InChIInChI=1S/C15H18N2.2ClH/c1-2-4-15-14(3-1)10-13(11-17-15)9-12-5-7-16-8-6-12;;/h1-4,10-12,16H,5-9H2;2*1H
InChIKeyGAZDBKUVXMLEPF-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.62
Rot. Bonds2

About 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride

3-(piperidin-4-ylmethyl)quinoline;dihydrochloride (PubChem CID 53407804) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride.

Molecular Properties

Compound Name3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
PubChem CID53407804
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC Name3-(piperidin-4-ylmethyl)quinoline;dihydrochloride
SMILESCl.Cl.c1ccc2ncc(CC3CCNCC3)cc2c1
InChIInChI=1S/C15H18N2.2ClH/c1-2-4-15-14(3-1)10-13(11-17-15)9-12-5-7-16-8-6-12;;/h1-4,10-12,16H,5-9H2;2*1H
InChIKeyGAZDBKUVXMLEPF-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride?
The IUPAC name of 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride (CID 53407804) is 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride.
What is the SMILES notation for 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride?
The canonical SMILES for 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride is Cl.Cl.c1ccc2ncc(CC3CCNCC3)cc2c1.
What is the InChIKey of 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride?
The InChIKey is GAZDBKUVXMLEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2.2ClH/c1-2-4-15-14(3-1)10-13(11-17-15)9-12-5-7-16-8-6-12;;/h1-4,10-12,16H,5-9H2;2*1H.
What are the key properties of 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride?
3-(piperidin-4-ylmethyl)quinoline;dihydrochloride has a molecular weight of 299.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethyl)quinoline;dihydrochloride is sourced from PubChem (CID 53407804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).