[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol

C23H33N3O — CID 46982407

IUPAC[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(N4CCCC(CO)C4)CC3)cc(C)c2c1
InChIInChI=1S/C23H33N3O/c1-3-18-6-7-22-21(14-18)17(2)13-23(24-22)25-11-8-20(9-12-25)26-10-4-5-19(15-26)16-27/h6-7,13-14,19-20,27H,3-5,8-12,15-16H2,1-2H3
InChIKeyXOIORGKSMPLWDB-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.78
Rot. Bonds4

About [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol

[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol (PubChem CID 46982407) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol
PubChem CID46982407
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(N4CCCC(CO)C4)CC3)cc(C)c2c1
InChIInChI=1S/C23H33N3O/c1-3-18-6-7-22-21(14-18)17(2)13-23(24-22)25-11-8-20(9-12-25)26-10-4-5-19(15-26)16-27/h6-7,13-14,19-20,27H,3-5,8-12,15-16H2,1-2H3
InChIKeyXOIORGKSMPLWDB-UHFFFAOYSA-N
XLogP3.78
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol (CID 46982407) is [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol is CCc1ccc2nc(N3CCC(N4CCCC(CO)C4)CC3)cc(C)c2c1.
What is the InChIKey of [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is XOIORGKSMPLWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-3-18-6-7-22-21(14-18)17(2)13-23(24-22)25-11-8-20(9-12-25)26-10-4-5-19(15-26)16-27/h6-7,13-14,19-20,27H,3-5,8-12,15-16H2,1-2H3.
What are the key properties of [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol?
[1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 367.54 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 46982407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).