1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol

C18H24N2O2 — CID 56885699

IUPAC1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol
SMILESCCc1ccc2nc(N3CCCC(O)(CO)C3)cc(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-3-14-5-6-16-15(10-14)13(2)9-17(19-16)20-8-4-7-18(22,11-20)12-21/h5-6,9-10,21-22H,3-4,7-8,11-12H2,1-2H3
InChIKeyLGSGTYLPTQDYDK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.43
Rot. Bonds3

About 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol

1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol (PubChem CID 56885699) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol
PubChem CID56885699
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol
SMILESCCc1ccc2nc(N3CCCC(O)(CO)C3)cc(C)c2c1
InChIInChI=1S/C18H24N2O2/c1-3-14-5-6-16-15(10-14)13(2)9-17(19-16)20-8-4-7-18(22,11-20)12-21/h5-6,9-10,21-22H,3-4,7-8,11-12H2,1-2H3
InChIKeyLGSGTYLPTQDYDK-UHFFFAOYSA-N
XLogP2.43
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol (CID 56885699) is 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol is CCc1ccc2nc(N3CCCC(O)(CO)C3)cc(C)c2c1.
What is the InChIKey of 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol?
The InChIKey is LGSGTYLPTQDYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-14-5-6-16-15(10-14)13(2)9-17(19-16)20-8-4-7-18(22,11-20)12-21/h5-6,9-10,21-22H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol?
1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol has a molecular weight of 300.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4-methylquinolin-2-yl)-3-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56885699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).