1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol

C18H24N2O — CID 90669679

IUPAC1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol
SMILESCc1cc(C)c2ncc(C(O)CC3CCCCN3)cc2c1
InChIInChI=1S/C18H24N2O/c1-12-7-13(2)18-14(8-12)9-15(11-20-18)17(21)10-16-5-3-4-6-19-16/h7-9,11,16-17,19,21H,3-6,10H2,1-2H3
InChIKeyVNABFSVFFDMXSK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.42
Rot. Bonds3

About 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol

1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol (PubChem CID 90669679) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol
PubChem CID90669679
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol
SMILESCc1cc(C)c2ncc(C(O)CC3CCCCN3)cc2c1
InChIInChI=1S/C18H24N2O/c1-12-7-13(2)18-14(8-12)9-15(11-20-18)17(21)10-16-5-3-4-6-19-16/h7-9,11,16-17,19,21H,3-6,10H2,1-2H3
InChIKeyVNABFSVFFDMXSK-UHFFFAOYSA-N
XLogP3.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol?
The IUPAC name of 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol (CID 90669679) is 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol?
The canonical SMILES for 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol is Cc1cc(C)c2ncc(C(O)CC3CCCCN3)cc2c1.
What is the InChIKey of 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol?
The InChIKey is VNABFSVFFDMXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12-7-13(2)18-14(8-12)9-15(11-20-18)17(21)10-16-5-3-4-6-19-16/h7-9,11,16-17,19,21H,3-6,10H2,1-2H3.
What are the key properties of 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol?
1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol has a molecular weight of 284.40 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethylquinolin-3-yl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 90669679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).