5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol

C22H24N2O — CID 698133

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCC(Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C22H24N2O/c25-21-9-8-19(20-7-4-12-23-22(20)21)16-24-13-10-18(11-14-24)15-17-5-2-1-3-6-17/h1-9,12,18,25H,10-11,13-16H2
InChIKeyOSUYXBHXTKKQEJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.40
Rot. Bonds4

About 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol

5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol (PubChem CID 698133) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol
PubChem CID698133
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol
SMILESOc1ccc(CN2CCC(Cc3ccccc3)CC2)c2cccnc12
InChIInChI=1S/C22H24N2O/c25-21-9-8-19(20-7-4-12-23-22(20)21)16-24-13-10-18(11-14-24)15-17-5-2-1-3-6-17/h1-9,12,18,25H,10-11,13-16H2
InChIKeyOSUYXBHXTKKQEJ-UHFFFAOYSA-N
XLogP4.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol (CID 698133) is 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol is Oc1ccc(CN2CCC(Cc3ccccc3)CC2)c2cccnc12.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol?
The InChIKey is OSUYXBHXTKKQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-21-9-8-19(20-7-4-12-23-22(20)21)16-24-13-10-18(11-14-24)15-17-5-2-1-3-6-17/h1-9,12,18,25H,10-11,13-16H2.
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol?
5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol has a molecular weight of 332.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 698133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).