5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C15H22N2O — CID 102965800

IUPAC5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCCN(c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H22N2O/c1-18-12-5-4-10-17(11-12)15-8-2-7-14-13(15)6-3-9-16-14/h2,7-8,12,16H,3-6,9-11H2,1H3
InChIKeyJNWZZYUTWJQPSP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.66
Rot. Bonds2

About 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 102965800) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID102965800
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCCN(c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H22N2O/c1-18-12-5-4-10-17(11-12)15-8-2-7-14-13(15)6-3-9-16-14/h2,7-8,12,16H,3-6,9-11H2,1H3
InChIKeyJNWZZYUTWJQPSP-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 102965800) is 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is COC1CCCN(c2cccc3c2CCCN3)C1.
What is the InChIKey of 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JNWZZYUTWJQPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-18-12-5-4-10-17(11-12)15-8-2-7-14-13(15)6-3-9-16-14/h2,7-8,12,16H,3-6,9-11H2,1H3.
What are the key properties of 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 246.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102965800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).