7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium

C21H23N2O+ — CID 9453959

IUPAC7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium
SMILESCOc1ccc2c(-c3ccccc3)cc(N3CCCCC3)[nH+]c2c1
InChIInChI=1S/C21H22N2O/c1-24-17-10-11-18-19(16-8-4-2-5-9-16)15-21(22-20(18)14-17)23-12-6-3-7-13-23/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/p+1
InChIKeyKFKFFJRQURPRSC-UHFFFAOYSA-O
MW319.43 g/mol
LogP4.32
Rot. Bonds3

About 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium

7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium (PubChem CID 9453959) has the molecular formula C21H23N2O+ and a molecular weight of 319.43 g/mol. Its IUPAC name is 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium.

Molecular Properties

Compound Name7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium
PubChem CID9453959
Molecular FormulaC21H23N2O+
Molecular Weight319.43 g/mol
Exact Mass319.18
IUPAC Name7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium
SMILESCOc1ccc2c(-c3ccccc3)cc(N3CCCCC3)[nH+]c2c1
InChIInChI=1S/C21H22N2O/c1-24-17-10-11-18-19(16-8-4-2-5-9-16)15-21(22-20(18)14-17)23-12-6-3-7-13-23/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/p+1
InChIKeyKFKFFJRQURPRSC-UHFFFAOYSA-O
XLogP4.32
TPSA26.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium?
The IUPAC name of 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium (CID 9453959) is 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium.
What is the SMILES notation for 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium?
The canonical SMILES for 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium is COc1ccc2c(-c3ccccc3)cc(N3CCCCC3)[nH+]c2c1.
What is the InChIKey of 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium?
The InChIKey is KFKFFJRQURPRSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N2O/c1-24-17-10-11-18-19(16-8-4-2-5-9-16)15-21(22-20(18)14-17)23-12-6-3-7-13-23/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/p+1.
What are the key properties of 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium?
7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium has a molecular weight of 319.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-phenyl-2-piperidin-1-ylquinolin-1-ium is sourced from PubChem (CID 9453959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).