6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline

C22H24N2O — CID 68788537

IUPAC6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
SMILESc1ccc(CCc2cc(OC3CCNCC3)c3ncccc3c2)cc1
InChIInChI=1S/C22H24N2O/c1-2-5-17(6-3-1)8-9-18-15-19-7-4-12-24-22(19)21(16-18)25-20-10-13-23-14-11-20/h1-7,12,15-16,20,23H,8-11,13-14H2
InChIKeyPYJCFKSYVUSDFP-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.15
Rot. Bonds5

About 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline

6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline (PubChem CID 68788537) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline.

Molecular Properties

Compound Name6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
PubChem CID68788537
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline
SMILESc1ccc(CCc2cc(OC3CCNCC3)c3ncccc3c2)cc1
InChIInChI=1S/C22H24N2O/c1-2-5-17(6-3-1)8-9-18-15-19-7-4-12-24-22(19)21(16-18)25-20-10-13-23-14-11-20/h1-7,12,15-16,20,23H,8-11,13-14H2
InChIKeyPYJCFKSYVUSDFP-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline?
The IUPAC name of 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline (CID 68788537) is 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline.
What is the SMILES notation for 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline?
The canonical SMILES for 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline is c1ccc(CCc2cc(OC3CCNCC3)c3ncccc3c2)cc1.
What is the InChIKey of 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline?
The InChIKey is PYJCFKSYVUSDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-5-17(6-3-1)8-9-18-15-19-7-4-12-24-22(19)21(16-18)25-20-10-13-23-14-11-20/h1-7,12,15-16,20,23H,8-11,13-14H2.
What are the key properties of 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline?
6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline has a molecular weight of 332.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-8-piperidin-4-yloxyquinoline is sourced from PubChem (CID 68788537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).