6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline

C20H21N3O — CID 175576427

IUPAC6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
SMILESc1cc(OCc2ccc3ncccc3c2)nc(C2CCNCC2)c1
InChIInChI=1S/C20H21N3O/c1-4-19(16-8-11-21-12-9-16)23-20(5-1)24-14-15-6-7-18-17(13-15)3-2-10-22-18/h1-7,10,13,16,21H,8-9,11-12,14H2
InChIKeyQAEQAMAYPYGBPA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.68
Rot. Bonds4

About 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline

6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline (PubChem CID 175576427) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline.

Molecular Properties

Compound Name6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
PubChem CID175576427
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
SMILESc1cc(OCc2ccc3ncccc3c2)nc(C2CCNCC2)c1
InChIInChI=1S/C20H21N3O/c1-4-19(16-8-11-21-12-9-16)23-20(5-1)24-14-15-6-7-18-17(13-15)3-2-10-22-18/h1-7,10,13,16,21H,8-9,11-12,14H2
InChIKeyQAEQAMAYPYGBPA-UHFFFAOYSA-N
XLogP3.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The IUPAC name of 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline (CID 175576427) is 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline.
What is the SMILES notation for 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The canonical SMILES for 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline is c1cc(OCc2ccc3ncccc3c2)nc(C2CCNCC2)c1.
What is the InChIKey of 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The InChIKey is QAEQAMAYPYGBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-19(16-8-11-21-12-9-16)23-20(5-1)24-14-15-6-7-18-17(13-15)3-2-10-22-18/h1-7,10,13,16,21H,8-9,11-12,14H2.
What are the key properties of 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline has a molecular weight of 319.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline is sourced from PubChem (CID 175576427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).