7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol

C22H23ClN2O — CID 1184589

IUPAC7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol
SMILESOc1c(CN2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C22H23ClN2O/c23-20-14-18(22(26)21-19(20)7-4-10-24-21)15-25-11-8-17(9-12-25)13-16-5-2-1-3-6-16/h1-7,10,14,17,26H,8-9,11-13,15H2
InChIKeyJFXFJCSTHMEVJY-UHFFFAOYSA-N
MW366.89 g/mol
LogP5.05
Rot. Bonds4

About 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol

7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol (PubChem CID 1184589) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol.

Molecular Properties

Compound Name7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol
PubChem CID1184589
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol
SMILESOc1c(CN2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12
InChIInChI=1S/C22H23ClN2O/c23-20-14-18(22(26)21-19(20)7-4-10-24-21)15-25-11-8-17(9-12-25)13-16-5-2-1-3-6-16/h1-7,10,14,17,26H,8-9,11-13,15H2
InChIKeyJFXFJCSTHMEVJY-UHFFFAOYSA-N
XLogP5.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.89
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol?
The IUPAC name of 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol (CID 1184589) is 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol.
What is the SMILES notation for 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol?
The canonical SMILES for 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol is Oc1c(CN2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12.
What is the InChIKey of 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol?
The InChIKey is JFXFJCSTHMEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-20-14-18(22(26)21-19(20)7-4-10-24-21)15-25-11-8-17(9-12-25)13-16-5-2-1-3-6-16/h1-7,10,14,17,26H,8-9,11-13,15H2.
What are the key properties of 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol?
7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol has a molecular weight of 366.89 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-benzylpiperidin-1-yl)methyl]-5-chloroquinolin-8-ol is sourced from PubChem (CID 1184589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).