7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol

C21H21ClN2O — CID 4751239

IUPAC7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccccc2Cl)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C21H21ClN2O/c22-18-9-3-2-8-16(18)20(24-13-4-1-5-14-24)17-11-10-15-7-6-12-23-19(15)21(17)25/h2-3,6-12,20,25H,1,4-5,13-14H2
InChIKeyVZXQSGXRQFYOHQ-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.17
Rot. Bonds3

About 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol

7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol (PubChem CID 4751239) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
PubChem CID4751239
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol
SMILESOc1c(C(c2ccccc2Cl)N2CCCCC2)ccc2cccnc12
InChIInChI=1S/C21H21ClN2O/c22-18-9-3-2-8-16(18)20(24-13-4-1-5-14-24)17-11-10-15-7-6-12-23-19(15)21(17)25/h2-3,6-12,20,25H,1,4-5,13-14H2
InChIKeyVZXQSGXRQFYOHQ-UHFFFAOYSA-N
XLogP5.17
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.17
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-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The IUPAC name of 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol (CID 4751239) is 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol is Oc1c(C(c2ccccc2Cl)N2CCCCC2)ccc2cccnc12.
What is the InChIKey of 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
The InChIKey is VZXQSGXRQFYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-18-9-3-2-8-16(18)20(24-13-4-1-5-14-24)17-11-10-15-7-6-12-23-19(15)21(17)25/h2-3,6-12,20,25H,1,4-5,13-14H2.
What are the key properties of 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol?
7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol has a molecular weight of 352.87 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chlorophenyl)-piperidin-1-ylmethyl]quinolin-8-ol is sourced from PubChem (CID 4751239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).